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

C17H19NO — CID 788407

IUPAC2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C17H19NO/c1-12-4-7-15(8-5-12)17(19)11-18-16-9-6-13(2)10-14(16)3/h4-10,18H,11H2,1-3H3
InChIKeySWRGZBCPMNKQHI-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.91
Rot. Bonds4

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

2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone (PubChem CID 788407) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone
PubChem CID788407
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2ccc(C)cc2C)cc1
InChIInChI=1S/C17H19NO/c1-12-4-7-15(8-5-12)17(19)11-18-16-9-6-13(2)10-14(16)3/h4-10,18H,11H2,1-3H3
InChIKeySWRGZBCPMNKQHI-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone (CID 788407) is 2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CNc2ccc(C)cc2C)cc1.
What is the InChIKey of 2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone?
The InChIKey is SWRGZBCPMNKQHI-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)10-14(16)3/h4-10,18H,11H2,1-3H3.
What are the key properties of 2-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone?
2-(2,4-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-(2,4-dimethylanilino)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 788407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).