3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride

C9H12ClNO3 — CID 140688179

IUPAC3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride
SMILESCOc1c(CN)cccc1C(=O)O.Cl
InChIInChI=1S/C9H11NO3.ClH/c1-13-8-6(5-10)3-2-4-7(8)9(11)12;/h2-4H,5,10H2,1H3,(H,11,12);1H
InChIKeyHCFCFXUJPMXRLB-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.27
Rot. Bonds3

About 3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride

3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride (PubChem CID 140688179) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride
PubChem CID140688179
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride
SMILESCOc1c(CN)cccc1C(=O)O.Cl
InChIInChI=1S/C9H11NO3.ClH/c1-13-8-6(5-10)3-2-4-7(8)9(11)12;/h2-4H,5,10H2,1H3,(H,11,12);1H
InChIKeyHCFCFXUJPMXRLB-UHFFFAOYSA-N
XLogP1.27
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-2-methoxybenzoic 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-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
2-methoxy-3-pentylbenzoic acid
CID 67238338
3-amino-2-methoxybenzoic acid
CID 19849158
3-hexyl-2-methoxybenzoic acid
CID 90189065
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
2-(3-acetyl-2-methoxyphenyl)acetic acid
CID 175626652
CID 87085306
CID 87085306
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-[3-(hydroxymethyl)-2-methoxyphenyl]-2-oxoacetic acid
CID 117299870
3-(3-carboxyprop-1-enyl)-2-methoxybenzoic acid
CID 170484118

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride?
The IUPAC name of 3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride (CID 140688179) is 3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride is COc1c(CN)cccc1C(=O)O.Cl.
What is the InChIKey of 3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride?
The InChIKey is HCFCFXUJPMXRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.ClH/c1-13-8-6(5-10)3-2-4-7(8)9(11)12;/h2-4H,5,10H2,1H3,(H,11,12);1H.
What are the key properties of 3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride?
3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride has a molecular weight of 217.65 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-methoxybenzoic acid;hydrochloride is sourced from PubChem (CID 140688179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).