1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone

C17H17Cl2NO — CID 60650610

IUPAC1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
SMILESCc1ccccc1CN(C)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO/c1-12-5-3-4-6-13(12)10-20(2)11-17(21)15-8-7-14(18)9-16(15)19/h3-9H,10-11H2,1-2H3
InChIKeyKQRYUPUIVAZRPA-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.62
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone

1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone (PubChem CID 60650610) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
PubChem CID60650610
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
SMILESCc1ccccc1CN(C)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO/c1-12-5-3-4-6-13(12)10-20(2)11-17(21)15-8-7-14(18)9-16(15)19/h3-9H,10-11H2,1-2H3
InChIKeyKQRYUPUIVAZRPA-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773
1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 62037111
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 63699718
1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650744
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone
CID 63566489
1-(2-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-one
CID 62036369
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202
2,4-dichloro-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163582
1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone
CID 60650724
N-cyclopropyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 60681736
1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805
1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 62036953

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone (CID 60650610) is 1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone is Cc1ccccc1CN(C)CC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
The InChIKey is KQRYUPUIVAZRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-12-5-3-4-6-13(12)10-20(2)11-17(21)15-8-7-14(18)9-16(15)19/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone has a molecular weight of 322.24 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone is sourced from PubChem (CID 60650610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).