4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one

C18H20FNO — CID 60692532

IUPAC4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)Cc1ccccc1F
InChIInChI=1S/C18H20FNO/c1-20(14-16-10-5-6-11-17(16)19)13-7-12-18(21)15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3
InChIKeyOPAHUKNOESNRDV-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.92
Rot. Bonds7

About 4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one

4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one (PubChem CID 60692532) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
PubChem CID60692532
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)Cc1ccccc1F
InChIInChI=1S/C18H20FNO/c1-20(14-16-10-5-6-11-17(16)19)13-7-12-18(21)15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3
InChIKeyOPAHUKNOESNRDV-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid
CID 65254792
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
CID 114237475
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile
CID 62035950

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one?
The IUPAC name of 4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one (CID 60692532) is 4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one is CN(CCCC(=O)c1ccccc1)Cc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one?
The InChIKey is OPAHUKNOESNRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-20(14-16-10-5-6-11-17(16)19)13-7-12-18(21)15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one?
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one has a molecular weight of 285.36 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one is sourced from PubChem (CID 60692532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).