1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one

C14H16N2O — CID 63172505

IUPAC1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2cccc(CN)c2)c1=O
InChIInChI=1S/C14H16N2O/c1-11-4-3-7-16(14(11)17)10-13-6-2-5-12(8-13)9-15/h2-8H,9-10,15H2,1H3
InChIKeyOIGQAKPRAADUBZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.66
Rot. Bonds3

About 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one

1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one (PubChem CID 63172505) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
PubChem CID63172505
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2cccc(CN)c2)c1=O
InChIInChI=1S/C14H16N2O/c1-11-4-3-7-16(14(11)17)10-13-6-2-5-12(8-13)9-15/h2-8H,9-10,15H2,1H3
InChIKeyOIGQAKPRAADUBZ-UHFFFAOYSA-N
XLogP1.66
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one 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 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one (CID 63172505) is 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one is Cc1cccn(Cc2cccc(CN)c2)c1=O.
What is the InChIKey of 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one?
The InChIKey is OIGQAKPRAADUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-4-3-7-16(14(11)17)10-13-6-2-5-12(8-13)9-15/h2-8H,9-10,15H2,1H3.
What are the key properties of 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one?
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one has a molecular weight of 228.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 63172505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).