1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one

C17H19FN2O — CID 60692668

IUPAC1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
SMILESCN(CCCC(=O)c1ccc(F)cc1)Cc1cccnc1
InChIInChI=1S/C17H19FN2O/c1-20(13-14-4-2-10-19-12-14)11-3-5-17(21)15-6-8-16(18)9-7-15/h2,4,6-10,12H,3,5,11,13H2,1H3
InChIKeyPMEMTWZUIZDYGW-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.32
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one

1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one (PubChem CID 60692668) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
PubChem CID60692668
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
SMILESCN(CCCC(=O)c1ccc(F)cc1)Cc1cccnc1
InChIInChI=1S/C17H19FN2O/c1-20(13-14-4-2-10-19-12-14)11-3-5-17(21)15-6-8-16(18)9-7-15/h2,4,6-10,12H,3,5,11,13H2,1H3
InChIKeyPMEMTWZUIZDYGW-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
CID 57095920
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
1-(4-fluorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62051227
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
CID 60692557
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one (CID 60692668) is 1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one is CN(CCCC(=O)c1ccc(F)cc1)Cc1cccnc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one?
The InChIKey is PMEMTWZUIZDYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-20(13-14-4-2-10-19-12-14)11-3-5-17(21)15-6-8-16(18)9-7-15/h2,4,6-10,12H,3,5,11,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one?
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one has a molecular weight of 286.35 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one is sourced from PubChem (CID 60692668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).