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

C19H22FNO — CID 129323215

IUPAC1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
SMILESCN(CCCC(=O)c1ccc(F)cc1)CCc1ccccc1
InChIInChI=1S/C19H22FNO/c1-21(15-13-16-6-3-2-4-7-16)14-5-8-19(22)17-9-11-18(20)12-10-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3
InChIKeyZCZTXKSILINPOY-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.96
Rot. Bonds8

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

1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one (PubChem CID 129323215) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
PubChem CID129323215
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
SMILESCN(CCCC(=O)c1ccc(F)cc1)CCc1ccccc1
InChIInChI=1S/C19H22FNO/c1-21(15-13-16-6-3-2-4-7-16)14-5-8-19(22)17-9-11-18(20)12-10-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3
InChIKeyZCZTXKSILINPOY-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
CID 65488620
5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one
CID 11653229
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
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-methylpropyl)amino]butan-1-one
CID 43792985
1-chloro-6-[5-[methyl(2-phenylethyl)amino]pentanoyl]-3,4-dihydroquinazolin-2-one
CID 141068942
(E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine
CID 6444436
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
CID 60692557

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one (CID 129323215) is 1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one is CN(CCCC(=O)c1ccc(F)cc1)CCc1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one?
The InChIKey is ZCZTXKSILINPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-21(15-13-16-6-3-2-4-7-16)14-5-8-19(22)17-9-11-18(20)12-10-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one?
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one has a molecular weight of 299.39 g/mol, XLogP of 3.96, 8 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-phenylethyl)amino]butan-1-one is sourced from PubChem (CID 129323215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).