2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one

C17H18ClNO — CID 62050558

IUPAC2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
SMILESCC(C(=O)c1cccc(Cl)c1)N(C)Cc1ccccc1
InChIInChI=1S/C17H18ClNO/c1-13(17(20)15-9-6-10-16(18)11-15)19(2)12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3
InChIKeyNCHLSKOOZORZRT-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.04
Rot. Bonds5

About 2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one

2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one (PubChem CID 62050558) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
PubChem CID62050558
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
SMILESCC(C(=O)c1cccc(Cl)c1)N(C)Cc1ccccc1
InChIInChI=1S/C17H18ClNO/c1-13(17(20)15-9-6-10-16(18)11-15)19(2)12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3
InChIKeyNCHLSKOOZORZRT-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one 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-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
CID 62031336
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-one
CID 62052677
3-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]propanenitrile
CID 62050758
(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 102183228
2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037610
[(2S)-2-(dibenzylamino)oxypropyl] 3-chlorobenzoate
CID 25260505
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273630
1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62037712
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one
CID 62051545

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one?
The IUPAC name of 2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one (CID 62050558) is 2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one is CC(C(=O)c1cccc(Cl)c1)N(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one?
The InChIKey is NCHLSKOOZORZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-13(17(20)15-9-6-10-16(18)11-15)19(2)12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one?
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one has a molecular weight of 287.79 g/mol, XLogP of 4.04, 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-(3-chlorophenyl)propan-1-one is sourced from PubChem (CID 62050558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).