Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39956
- Core Entity Id
- 78241
- Source Entity Count
- 1
- Preferred Name
- (1s)-1-phenylethanamine
- Name En
- (1S)-1-Phenylethanamine
- Pubchem Id
- 75818
- Smiles Canonical
- CC(C1=CC=CC=C1)N
- Molecular Formula
- C8H11N
- Molecular Weight
- 121.1830
- Inchikey
- RQEUFEKYXDPUSK-ZETCQYMHSA-N
- Inchi
- InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
- Isomeric Smiles
- C[C@@H](C1=CC=CC=C1)N
- Cas Id
- 137577-63-0
- Ob Score
- 58.0150
- Mol Logp
- 1.7063
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1S)-1-Phenylethanamine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(1S)-1-Phenylethanamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(1S)-1-phenylethanamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S)-1-phenylethanamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1s)-1-phenylethanamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1s)-1-phenylethanamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)-alpha-phenethylamine
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-(-)-1-Phenylethylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(-)-alpha-Methylbenzylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-(-)-alpha-Methylbenzylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(−)-1-Phenylethylamine
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-(−)-alpha-Methylbenzylamine
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-1-Phenylethylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-1-phenylethanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-1-phenylethanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-alpha-Methylbenzenemethanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-alpha-Methylbenzenemethanamine
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-alpha-Methylbenzenemethanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(alphaS)-alpha-methylbenzenemethanamine
Role
alias
Source
TCMBank
Preferred
No
Name
115568_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
137577-63-0
Role
alias
Source
TCMBank
Preferred
No
Name
2627-86-3
Role
alias
Source
HERB_v2
Preferred
No
Name
2627-86-3
Role
alias
Source
TCMBank
Preferred
No
Name
2627-86-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
77869_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
77870_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanamine, alpha-methyl-, (alphaS)-
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:35321
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 220-098-0
Role
alias
Source
TCMBank
Preferred
No
Name
L(-)-alpha-Methylbenzylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L(-)-alpha-methylbenzylamine
Role
alias
Source
TCMBank
Preferred
No
Name
L-(-)-1-phenylethylamine
Role
alias
Source
TCMBank
Preferred
No
Name
L-(-)-alpha-phenylethylamine
Role
alias
Source
TCMBank
Preferred
No
Name
L-1-Phenylethylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-1-Phenylethylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-alpha-Methylbenzylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
[(1S)-1-phenylethyl]amine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-alpha-phenethylamine(S)-(-)-1-Phenylethylamine(S)-(-)-alpha-Methylbenzylamine(S)-(−)-1-Phenylethylamine(S)-(−)-alpha-Methylbenzylamine(S)-1-Phenylethylamine(S)-1-phenylethanamine(S)-alpha-Methylbenzenemethanamine(alphaS)-alpha-methylbenzenemethanamine115568_ALDRICH137577-63-02627-86-377869_FLUKA77870_FLUKABenzenemethanamine, alpha-methyl-, (alphaS)-CHEBI:35321EINECS 220-098-0L(-)-alpha-MethylbenzylamineL-(-)-1-phenylethylamineL-(-)-alpha-phenylethylamineL-1-PhenylethylamineL-alpha-Methylbenzylamine[(1S)-1-phenylethyl]amine
Cross References
Trusted external identifiers retained for this final record.
Cas
137577-63-0
Herb
HBIN003190
Tcmsp
MOL008887
Sym Map
SMIT10098
Pub Chem
75818
Tcmbank
TCMBANKIN022392
Etcm Ingredient
(1S)-1-phenylethanamine
Itcmdb Generated
ITX-INGREDIENT-2F0B28774B7B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
Mol Wt
121.183
Cas Id
137577-63-0
Smiles
CC(C1=CC=CC=C1)N
Mol Log P
1.7063
Version
v1,v2
In Ch Ikey
RQEUFEKYXDPUSK-ZETCQYMHSA-N
Ob Score
58.0149658.0149603858.015
Suppress
0
Num Hdonors
1
Drug Likeness
0.601
Num Hacceptors
1
Isomeric Smiles
C[C@@H](C1=CC=CC=C1)N
Molecule Weight
121.2
Canonical Smiles
CC(C1=CC=CC=C1)N
Herb Alias Names
2627-86-3(S)-(-)-1-Phenylethylamine(S)-1-phenylethanamine(S)-(-)-alpha-Methylbenzylamine(S)-1-PhenylethylamineL-1-PhenylethylamineL-alpha-MethylbenzylamineL(-)-alpha-Methylbenzylamine(S)-alpha-Methylbenzenemethanamine
Molecular Weight
121.090
Molecular Weight
121.18
Molecular Formula
C8H11N
Molecular Formula
C8H11N
Molecular Formula
C8H11N
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.118
Quantitative Estimate Of Drug Likeness（Qed）
0.601