Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 13Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2115
- Core Entity Id
- 5541
- Source Entity Count
- 1
- Preferred Name
- 2-methoxyphenethylamine
- Name En
- Pubchem Id
- 74896
- Smiles Canonical
- COC1=CC=CC=C1CCN
- Molecular Formula
- C9H13NO
- Molecular Weight
- 151.2090
- Inchikey
- WSWPCNMLEVZGSM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H13NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3
- Isomeric Smiles
- COC1=CC=CC=C1CCN
- Cas Id
- 2045-79-6
- Ob Score
- 52.0068
- Mol Logp
- 1.1964
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methoxyphenethylamine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Methoxyphenethylamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Methoxyphenethylamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Methoxyphenethylamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-methoxyphenethylamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methoxyphenethylamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(2-Methoxy-phenyl)-ethylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(2-Methoxyphenyl)Ethan-1-Amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(2-Methoxyphenyl)Ethan-1-Amine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2-Methoxyphenyl)ethanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(2-Methoxyphenyl)ethanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2-Methoxyphenyl)ethylamine
Role
alias
Source
TCMBank
Preferred
No
Name
2-(2-Methoxyphenyl)ethylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2-methoxyphenyl)ethanamine
Role
alias
Source
TCMBank
Preferred
No
Name
2045-79-6
Role
alias
Source
HERB_v2
Preferred
No
Name
2045-79-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
476021_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
A87YWS9XM3
Role
alias
Source
HERB_v2
Preferred
No
Name
A87YWS9XM3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzeneethanamine, 2-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzeneethanamine, 2-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 218-066-6
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00008186
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00008186
Role
alias
Source
itcmdb_public
Preferred
No
Name
T5666522
Role
alias
Source
TCMBank
Preferred
No
Name
o-methoxyphenethylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
o-methoxyphenethylamine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(2-Methoxy-phenyl)-ethylamine2-(2-Methoxyphenyl)Ethan-1-Amine2-(2-Methoxyphenyl)ethanamine2-(2-Methoxyphenyl)ethylamine2045-79-6476021_ALDRICHA87YWS9XM3Benzeneethanamine, 2-methoxy-EINECS 218-066-6MFCD00008186T5666522o-methoxyphenethylamine
Cross References
Trusted external identifiers retained for this final record.
Cas
2045-79-6
Herb
HBIN005922
Tcmsp
MOL008886
Sym Map
SMIT10097
Pub Chem
74896
Tcmbank
TCMBANKIN017923
Etcm Ingredient
2-Methoxyphenethylamine
Itcmdb Generated
ITX-INGREDIENT-26F9470A0003
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H13NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3
Mol Wt
151.209
Cas Id
2045-79-6
Smiles
COC1=CC=CC=C1CCN
Mol Log P
1.1964
Version
v1,v2
In Ch Ikey
WSWPCNMLEVZGSM-UHFFFAOYSA-N
Ob Score
52.00678452.0067841652.007
Suppress
0
Num Hdonors
1
Drug Likeness
0.704
Num Hacceptors
2
Isomeric Smiles
COC1=CC=CC=C1CCN
Molecule Weight
151.23
Canonical Smiles
COC1=CC=CC=C1CCN
Herb Alias Names
2045-79-62-(2-Methoxyphenyl)ethylamine2-(2-Methoxyphenyl)ethanamineBenzeneethanamine, 2-methoxy-2-(2-Methoxy-phenyl)-ethylamine2-(2-Methoxyphenyl)Ethan-1-Amineo-methoxyphenethylamineMFCD00008186A87YWS9XM3
Molecular Weight
151.100
Molecular Weight
151.21
Molecular Formula
C9H13NO
Molecular Formula
C9H13NO
Molecular Formula
C9H13NO
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.430
Quantitative Estimate Of Drug Likeness（Qed）
0.704