3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride

C14H14ClNO2 — CID 138038044

IUPAC3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
SMILESCl.NCc1cccc(-c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H13NO2.ClH/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17;/h1-8H,9,15H2,(H,16,17);1H
InChIKeyJZAWCZWUWGOLGL-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.93
Rot. Bonds3

About 3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride

3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride (PubChem CID 138038044) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
PubChem CID138038044
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
SMILESCl.NCc1cccc(-c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C14H13NO2.ClH/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17;/h1-8H,9,15H2,(H,16,17);1H
InChIKeyJZAWCZWUWGOLGL-UHFFFAOYSA-N
XLogP2.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-[3-(2-amino-2-carboxyethyl)phenyl]benzoic acid
CID 45101472
3-(4-carboxyphenyl)benzoic acid
CID 11550488
3-[[[4-(aminomethyl)phenyl]methylamino]methyl]benzoic acid
CID 168845585
2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid
CID 82556129
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid
CID 86081762
4-[3-(2-aminoacetyl)phenyl]benzoic acid
CID 170860911
3-[3-(pyrazol-1-ylmethyl)phenyl]benzoic acid
CID 142326100
3-[4-(trifluoromethyl)phenyl]benzoic acid;[3-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 162182546
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride?
The IUPAC name of 3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride (CID 138038044) is 3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride.
What is the SMILES notation for 3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride?
The canonical SMILES for 3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride is Cl.NCc1cccc(-c2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride?
The InChIKey is JZAWCZWUWGOLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.ClH/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17;/h1-8H,9,15H2,(H,16,17);1H.
What are the key properties of 3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride?
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride has a molecular weight of 263.72 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride is sourced from PubChem (CID 138038044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).