[3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride

C9H14ClNO2 — CID 170914048

IUPAC[3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride
SMILESCl.NCc1cccc(CO)c1CO
InChIInChI=1S/C9H13NO2.ClH/c10-4-7-2-1-3-8(5-11)9(7)6-12;/h1-3,11-12H,4-6,10H2;1H
InChIKeyOXKAWRXLFDHZMB-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.55
Rot. Bonds3

About [3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride

[3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride (PubChem CID 170914048) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is [3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride
PubChem CID170914048
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name[3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride
SMILESCl.NCc1cccc(CO)c1CO
InChIInChI=1S/C9H13NO2.ClH/c10-4-7-2-1-3-8(5-11)9(7)6-12;/h1-3,11-12H,4-6,10H2;1H
InChIKeyOXKAWRXLFDHZMB-UHFFFAOYSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride?
The IUPAC name of [3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride (CID 170914048) is [3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride?
The canonical SMILES for [3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride is Cl.NCc1cccc(CO)c1CO.
What is the InChIKey of [3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride?
The InChIKey is OXKAWRXLFDHZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c10-4-7-2-1-3-8(5-11)9(7)6-12;/h1-3,11-12H,4-6,10H2;1H.
What are the key properties of [3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride?
[3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride is sourced from PubChem (CID 170914048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).