1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one

C14H14F2N2O — CID 107522608

IUPAC1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one
SMILESCc1cccn(CC(N)c2ccc(F)cc2F)c1=O
InChIInChI=1S/C14H14F2N2O/c1-9-3-2-6-18(14(9)19)8-13(17)11-5-4-10(15)7-12(11)16/h2-7,13H,8,17H2,1H3
InChIKeyXJHROASYQCDDCN-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.13
Rot. Bonds3

About 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one

1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one (PubChem CID 107522608) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one
PubChem CID107522608
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one
SMILESCc1cccn(CC(N)c2ccc(F)cc2F)c1=O
InChIInChI=1S/C14H14F2N2O/c1-9-3-2-6-18(14(9)19)8-13(17)11-5-4-10(15)7-12(11)16/h2-7,13H,8,17H2,1H3
InChIKeyXJHROASYQCDDCN-UHFFFAOYSA-N
XLogP2.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-amino-2-(2,4-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 107523095
1-(2,4-difluorophenyl)-2-(2-propylimidazol-1-yl)ethanamine
CID 107522682
3-[2-amino-2-(2,5-difluorophenyl)ethyl]-6-methylpyrimidin-4-one
CID 107522329
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522881
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018
5-(2,4-difluorophenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
CID 71585757
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-methylazepan-2-one
CID 107522728
1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 107522072
1-(2-hydroxy-3,3-dimethylbutyl)-3-methylpyridin-2-one
CID 63172888

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one (CID 107522608) is 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one is Cc1cccn(CC(N)c2ccc(F)cc2F)c1=O.
What is the InChIKey of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one?
The InChIKey is XJHROASYQCDDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-9-3-2-6-18(14(9)19)8-13(17)11-5-4-10(15)7-12(11)16/h2-7,13H,8,17H2,1H3.
What are the key properties of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one?
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one has a molecular weight of 264.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 107522608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).