1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one

C16H18FNOS — CID 60692557

IUPAC1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
SMILESCN(CCCC(=O)c1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C16H18FNOS/c1-18(12-15-4-3-11-20-15)10-2-5-16(19)13-6-8-14(17)9-7-13/h3-4,6-9,11H,2,5,10,12H2,1H3
InChIKeyVAAHEWMMWABTLK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.98
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one

1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one (PubChem CID 60692557) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
PubChem CID60692557
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
SMILESCN(CCCC(=O)c1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C16H18FNOS/c1-18(12-15-4-3-11-20-15)10-2-5-16(19)13-6-8-14(17)9-7-13/h3-4,6-9,11H,2,5,10,12H2,1H3
InChIKeyVAAHEWMMWABTLK-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
4-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-fluorophenyl)butan-1-one
CID 62035991
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
1-(4-fluorophenyl)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-one
CID 79849841
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
1-(4-fluorophenyl)-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-1-one
CID 63838556
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one (CID 60692557) is 1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one is CN(CCCC(=O)c1ccc(F)cc1)Cc1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one?
The InChIKey is VAAHEWMMWABTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-18(12-15-4-3-11-20-15)10-2-5-16(19)13-6-8-14(17)9-7-13/h3-4,6-9,11H,2,5,10,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one?
1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one has a molecular weight of 291.39 g/mol, XLogP of 3.98, 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(thiophen-2-ylmethyl)amino]butan-1-one is sourced from PubChem (CID 60692557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).