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

C14H15FN2O — CID 62962293

IUPAC1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2ccc(CN)cc2F)c(=O)c1
InChIInChI=1S/C14H15FN2O/c1-10-4-5-17(14(18)6-10)9-12-3-2-11(8-16)7-13(12)15/h2-7H,8-9,16H2,1H3
InChIKeyJDBFJUIQSGXVFA-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.80
Rot. Bonds3

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

1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one (PubChem CID 62962293) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one
PubChem CID62962293
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2ccc(CN)cc2F)c(=O)c1
InChIInChI=1S/C14H15FN2O/c1-10-4-5-17(14(18)6-10)9-12-3-2-11(8-16)7-13(12)15/h2-7H,8-9,16H2,1H3
InChIKeyJDBFJUIQSGXVFA-UHFFFAOYSA-N
XLogP1.80
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-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

Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 113232235
1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962113
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579488
[5-fluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]boronic acid
CID 55153686
1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 115614095
1-[(2-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962115
[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine
CID 61402521
methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate
CID 103749426
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepane-2,7-dione
CID 43447534
2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid
CID 68750620
3-[[5-(aminomethyl)-2-fluorophenyl]methyl]-6-methylpyrimidin-4-one
CID 61227116
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione
CID 43382586

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one (CID 62962293) is 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one is Cc1ccn(Cc2ccc(CN)cc2F)c(=O)c1.
What is the InChIKey of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one?
The InChIKey is JDBFJUIQSGXVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10-4-5-17(14(18)6-10)9-12-3-2-11(8-16)7-13(12)15/h2-7H,8-9,16H2,1H3.
What are the key properties of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one?
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one has a molecular weight of 246.28 g/mol, XLogP of 1.80, 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-fluorophenyl]methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 62962293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).