Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6124
- Core Entity Id
- 9990
- Source Entity Count
- 1
- Preferred Name
- 4-iodo-2,6-dimethylaniline
- Name En
- Pubchem Id
- 278942
- Smiles Canonical
- CC1=CC(=CC(=C1N)C)I
- Molecular Formula
- C8H10IN
- Molecular Weight
- 247.0790
- Inchikey
- BJJSUOOEBCCLNY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H10IN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
- Isomeric Smiles
- CC1=CC(=CC(=C1N)C)I
- Cas Id
- Ob Score
- Mol Logp
- 2.4902
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Iodo-2,6-dimethylaniline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-iodo-2,6-dimethylaniline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-iodo-2,6-dimethylaniline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,6-dimethyl-4-iodoaniline
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-dimethyl-4-iodoaniline
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Iodo-2,6-dimethyl-phenylamine hydrochloride
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Iodo-2,6-dimethyl-phenylamine hydrochloride
Role
alias
Source
HERB_v2
Preferred
No
Name
4-iodo-2,6-dimethylbenzenamine
Role
alias
Source
HERB_v2
Preferred
No
Name
4-iodo-2,6-dimethylbenzenamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
4102-53-8
Role
alias
Source
HERB_v2
Preferred
No
Name
4102-53-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzenamine, 4-iodo-2,6-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzenamine, 4-iodo-2,6-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DBC8AYX76Q
Role
alias
Source
HERB_v2
Preferred
No
Name
DBC8AYX76Q
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD08061611
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD08061611
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-128900
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC128900
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,6-dimethyl-4-iodoaniline4-Iodo-2,6-dimethyl-phenylamine hydrochloride4-iodo-2,6-dimethylbenzenamine4102-53-8Benzenamine, 4-iodo-2,6-dimethyl-DBC8AYX76QMFCD08061611NSC-128900NSC128900
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010581
Tcmid
40749
Pub Chem
278942
Tcmbank
TCMBANKIN006697
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H10IN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
Mol Wt
247.079
Smiles
CC1=CC(=CC(=C1N)C)I
Mol Log P
2.490240000000001
In Ch Ikey
BJJSUOOEBCCLNY-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.553
Num Hacceptors
1
Isomeric Smiles
CC1=CC(=CC(=C1N)C)I
Canonical Smiles
CC1=CC(=CC(=C1N)C)I
Herb Alias Names
4102-53-82,6-dimethyl-4-iodoanilineBenzenamine, 4-iodo-2,6-dimethyl-4-iodo-2,6-dimethylbenzenamineMFCD08061611NSC-1289004-Iodo-2,6-dimethyl-phenylamine hydrochlorideNSC128900DBC8AYX76Q
Molecular Weight
247.08 g/mol
Molecular Formula
C8H10IN
Molecular Formula
C8H10IN
Num Rotatable Bonds
0