1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one

C14H15ClN2O — CID 102663284

IUPAC1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2ccc(CN)cc2Cl)c1=O
InChIInChI=1S/C14H15ClN2O/c1-10-3-2-6-17(14(10)18)9-12-5-4-11(8-16)7-13(12)15/h2-7H,8-9,16H2,1H3
InChIKeyHEAOCGXQDQRVFC-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.32
Rot. Bonds3

About 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one

1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one (PubChem CID 102663284) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one
PubChem CID102663284
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2ccc(CN)cc2Cl)c1=O
InChIInChI=1S/C14H15ClN2O/c1-10-3-2-6-17(14(10)18)9-12-5-4-11(8-16)7-13(12)15/h2-7H,8-9,16H2,1H3
InChIKeyHEAOCGXQDQRVFC-UHFFFAOYSA-N
XLogP2.32
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
CID 63172505
3-chloro-4-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 102670068
1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylpyridin-2-one
CID 116519212
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one
CID 102663276
2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
CID 105352210
3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
CID 114760860
3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione
CID 102663211
[4-[(3-chloroindol-1-yl)methyl]-3-methylphenyl]methanamine
CID 114479103
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 63172351
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one
CID 102662978
[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
CID 102663221

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one (CID 102663284) is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one is Cc1cccn(Cc2ccc(CN)cc2Cl)c1=O.
What is the InChIKey of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one?
The InChIKey is HEAOCGXQDQRVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10-3-2-6-17(14(10)18)9-12-5-4-11(8-16)7-13(12)15/h2-7H,8-9,16H2,1H3.
What are the key properties of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one?
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one has a molecular weight of 262.74 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 102663284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).