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

C17H18FNO — CID 71497148

IUPAC2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CN(C)Cc2ccccc2)ccc1F
InChIInChI=1S/C17H18FNO/c1-13-10-15(8-9-16(13)18)17(20)12-19(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyOKZYWEJKUTWENN-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.45
Rot. Bonds5

About 2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone

2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 71497148) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID71497148
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CN(C)Cc2ccccc2)ccc1F
InChIInChI=1S/C17H18FNO/c1-13-10-15(8-9-16(13)18)17(20)12-19(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyOKZYWEJKUTWENN-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 ≤ 500271.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650420
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650744
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
CID 60679544
2-[benzyl(methyl)amino]-1-[3-hydroxy-4-(4-methylphenoxy)phenyl]ethanone
CID 54150258
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
1-(3-amino-4-methylphenyl)-3-[benzyl(methyl)amino]propan-1-one
CID 82136060
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone (CID 71497148) is 2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C(=O)CN(C)Cc2ccccc2)ccc1F.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is OKZYWEJKUTWENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13-10-15(8-9-16(13)18)17(20)12-19(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone?
2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 271.33 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-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 71497148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).