5-(aminomethyl)-2-chlorophenol;hydrochloride

C7H9Cl2NO — CID 68693377

IUPAC5-(aminomethyl)-2-chlorophenol;hydrochloride
SMILESCl.NCc1ccc(Cl)c(O)c1
InChIInChI=1S/C7H8ClNO.ClH/c8-6-2-1-5(4-9)3-7(6)10;/h1-3,10H,4,9H2;1H
InChIKeyKIGMESVKCMCNQF-UHFFFAOYSA-N
MW194.06 g/mol
LogP1.93
Rot. Bonds1

About 5-(aminomethyl)-2-chlorophenol;hydrochloride

5-(aminomethyl)-2-chlorophenol;hydrochloride (PubChem CID 68693377) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 5-(aminomethyl)-2-chlorophenol;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-2-chlorophenol;hydrochloride
PubChem CID68693377
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name5-(aminomethyl)-2-chlorophenol;hydrochloride
SMILESCl.NCc1ccc(Cl)c(O)c1
InChIInChI=1S/C7H8ClNO.ClH/c8-6-2-1-5(4-9)3-7(6)10;/h1-3,10H,4,9H2;1H
InChIKeyKIGMESVKCMCNQF-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(aminomethyl)-2-chlorophenol;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 5-(aminomethyl)-2-chlorophenol;hydrochloride?
The IUPAC name of 5-(aminomethyl)-2-chlorophenol;hydrochloride (CID 68693377) is 5-(aminomethyl)-2-chlorophenol;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-2-chlorophenol;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-2-chlorophenol;hydrochloride is Cl.NCc1ccc(Cl)c(O)c1.
What is the InChIKey of 5-(aminomethyl)-2-chlorophenol;hydrochloride?
The InChIKey is KIGMESVKCMCNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c8-6-2-1-5(4-9)3-7(6)10;/h1-3,10H,4,9H2;1H.
What are the key properties of 5-(aminomethyl)-2-chlorophenol;hydrochloride?
5-(aminomethyl)-2-chlorophenol;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-chlorophenol;hydrochloride is sourced from PubChem (CID 68693377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).