2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone

C17H18ClNO — CID 82101686

IUPAC2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CNCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H18ClNO/c1-12-3-8-16(13(2)9-12)17(20)11-19-10-14-4-6-15(18)7-5-14/h3-9,19H,10-11H2,1-2H3
InChIKeyKZCUKWTVBVQKOA-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.93
Rot. Bonds5

About 2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone

2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone (PubChem CID 82101686) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone
PubChem CID82101686
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CNCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H18ClNO/c1-12-3-8-16(13(2)9-12)17(20)11-19-10-14-4-6-15(18)7-5-14/h3-9,19H,10-11H2,1-2H3
InChIKeyKZCUKWTVBVQKOA-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-chlorophenyl)methylamino]ethanone
CID 4680505
1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
CID 82101223
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998149
2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
CID 82101652
4-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]benzoic acid
CID 82104497
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
2-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)ethanone
CID 82101505
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 82104492
1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone
CID 94278555
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone (CID 82101686) is 2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)CNCc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is KZCUKWTVBVQKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-3-8-16(13(2)9-12)17(20)11-19-10-14-4-6-15(18)7-5-14/h3-9,19H,10-11H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone?
2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 287.79 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 82101686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).