2-(aminomethyl)-3-chlorophenol

C7H8ClNO — CID 62502459

IUPAC2-(aminomethyl)-3-chlorophenol
SMILESNCc1c(O)cccc1Cl
InChIInChI=1S/C7H8ClNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H,4,9H2
InChIKeyDDKHIOXWHDMUEL-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.50
Rot. Bonds1

About 2-(aminomethyl)-3-chlorophenol

2-(aminomethyl)-3-chlorophenol (PubChem CID 62502459) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chlorophenol.

Molecular Properties

Compound Name2-(aminomethyl)-3-chlorophenol
PubChem CID62502459
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name2-(aminomethyl)-3-chlorophenol
SMILESNCc1c(O)cccc1Cl
InChIInChI=1S/C7H8ClNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H,4,9H2
InChIKeyDDKHIOXWHDMUEL-UHFFFAOYSA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(Aminomethyl)phenol
CID 70267
2-(Aminomethyl)phenol hydrochloride
CID 22058465
4-Chloro-2-{[(2-chlorobenzyl)amino]methyl}phenol
CID 28446963
Benzenecarbothioamide, 2-chloro-4-hydroxy-
CID 136053841
2-(Aminomethyl)-4-chlorophenol
CID 230844
2-(Aminomethyl)-4-chloro-3-methylphenol;hydrochloride
CID 45264071
(2-Chloro-6-methoxyphenyl)methanamine
CID 28965599
2-(Aminomethyl)-4-chloro-6-iodophenol;hydrochloride
CID 45264197
2-(Aminomethyl)-3,4-dichlorophenol
CID 12652210
2-(Aminomethyl)-3,6-dichloro-4-methylphenol;hydrochloride
CID 45259747
2-(Aminomethyl)-6-chloro-4-fluorophenol;hydrochloride
CID 45259817
2-(Aminomethyl)-3,4,5-trichlorophenol;hydrochloride
CID 45259830

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chlorophenol?
The IUPAC name of 2-(aminomethyl)-3-chlorophenol (CID 62502459) is 2-(aminomethyl)-3-chlorophenol.
What is the SMILES notation for 2-(aminomethyl)-3-chlorophenol?
The canonical SMILES for 2-(aminomethyl)-3-chlorophenol is NCc1c(O)cccc1Cl.
What is the InChIKey of 2-(aminomethyl)-3-chlorophenol?
The InChIKey is DDKHIOXWHDMUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H,4,9H2.
What are the key properties of 2-(aminomethyl)-3-chlorophenol?
2-(aminomethyl)-3-chlorophenol has a molecular weight of 157.60 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-chlorophenol is sourced from PubChem (CID 62502459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).