1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone

C17H18FNO — CID 61414179

IUPAC1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)Cc2cccc(C)c2)c(F)c1
InChIInChI=1S/C17H18FNO/c1-12-5-4-6-14(9-12)11-19(3)17-8-7-15(13(2)20)10-16(17)18/h4-10H,11H2,1-3H3
InChIKeyLAWMLNRVHJUUPJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.97
Rot. Bonds4

About 1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone

1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone (PubChem CID 61414179) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
PubChem CID61414179
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)Cc2cccc(C)c2)c(F)c1
InChIInChI=1S/C17H18FNO/c1-12-5-4-6-14(9-12)11-19(3)17-8-7-15(13(2)20)10-16(17)18/h4-10H,11H2,1-3H3
InChIKeyLAWMLNRVHJUUPJ-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62969511
1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 60967598
3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]-2-nitroaniline
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4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
1-[3-[benzyl(methyl)amino]-4-chlorophenyl]ethanone
CID 82535424
4-[(3-fluorophenyl)methyl-methylamino]-3-methylbenzoic acid
CID 62121477
1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone
CID 63532043
(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol
CID 78939923
2-(chloromethyl)-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63540677
3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 103706723
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone (CID 61414179) is 1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone is CC(=O)c1ccc(N(C)Cc2cccc(C)c2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone?
The InChIKey is LAWMLNRVHJUUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-5-4-6-14(9-12)11-19(3)17-8-7-15(13(2)20)10-16(17)18/h4-10H,11H2,1-3H3.
What are the key properties of 1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone?
1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone has a molecular weight of 271.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone is sourced from PubChem (CID 61414179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).