2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone

C17H18FNO — CID 62029617

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO/c1-13-4-3-5-15(10-13)17(20)12-19(2)11-14-6-8-16(18)9-7-14/h3-10H,11-12H2,1-2H3
InChIKeyWNVUGPZCFJFLON-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.45
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone

2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone (PubChem CID 62029617) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
PubChem CID62029617
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO/c1-13-4-3-5-15(10-13)17(20)12-19(2)11-14-6-8-16(18)9-7-14/h3-10H,11-12H2,1-2H3
InChIKeyWNVUGPZCFJFLON-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892938
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide
CID 62051984
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
CID 90875734
2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone
CID 71497148
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone (CID 62029617) is 2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CN(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone?
The InChIKey is WNVUGPZCFJFLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13-4-3-5-15(10-13)17(20)12-19(2)11-14-6-8-16(18)9-7-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone?
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone has a molecular weight of 271.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 62029617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).