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

C15H22FNO — CID 43792985

IUPAC1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
SMILESCC(C)CN(C)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-12(2)11-17(3)10-4-5-15(18)13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyVWWPWJMQZNLGEW-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.38
Rot. Bonds7

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

1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one (PubChem CID 43792985) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
PubChem CID43792985
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
SMILESCC(C)CN(C)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-12(2)11-17(3)10-4-5-15(18)13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyVWWPWJMQZNLGEW-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,2-difluoroethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 84597537
2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]-N-propan-2-ylacetamide
CID 60696268
1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one
CID 61427319
1-(4-fluorophenyl)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-one
CID 79849841
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one
CID 62029566
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
CID 60692557
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345
1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
CID 43793381
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one (CID 43792985) is 1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one is CC(C)CN(C)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one?
The InChIKey is VWWPWJMQZNLGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12(2)11-17(3)10-4-5-15(18)13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one?
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one has a molecular weight of 251.34 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one is sourced from PubChem (CID 43792985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).