2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone

C17H19NO — CID 82119902

IUPAC2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H19NO/c1-12-4-7-15(8-5-12)17(19)11-18-16-9-6-13(2)14(3)10-16/h4-10,18H,11H2,1-3H3
InChIKeyPZTKBFLCNYMZOL-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.91
Rot. Bonds4

About 2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone

2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone (PubChem CID 82119902) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
PubChem CID82119902
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H19NO/c1-12-4-7-15(8-5-12)17(19)11-18-16-9-6-13(2)14(3)10-16/h4-10,18H,11H2,1-3H3
InChIKeyPZTKBFLCNYMZOL-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-2-(4-methylanilino)ethanone
CID 35580992
2-(4-iodoanilino)-1-(4-methylphenyl)ethanone
CID 110823714
2-(4-methylanilino)-1-phenylethanone
CID 4230722
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481
3-(3,4-dimethylanilino)-1-(4-methylphenyl)but-3-en-1-one
CID 2290990
1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
CID 94278599
2-(3,4-dimethylanilino)acetamide
CID 28580413
1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
3-[[2-(4-methylphenyl)-2-oxoethyl]amino]benzonitrile
CID 82119294
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone (CID 82119902) is 2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CNc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone?
The InChIKey is PZTKBFLCNYMZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-4-7-15(8-5-12)17(19)11-18-16-9-6-13(2)14(3)10-16/h4-10,18H,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone?
2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone has a molecular weight of 253.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 82119902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).