2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone

C18H21NO — CID 82123131

IUPAC2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CNc2cccc(C)c2C)c1
InChIInChI=1S/C18H21NO/c1-12-8-9-14(3)16(10-12)18(20)11-19-17-7-5-6-13(2)15(17)4/h5-10,19H,11H2,1-4H3
InChIKeyIANSQSDADQPQIE-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.22
Rot. Bonds4

About 2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone

2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone (PubChem CID 82123131) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone
PubChem CID82123131
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CNc2cccc(C)c2C)c1
InChIInChI=1S/C18H21NO/c1-12-8-9-14(3)16(10-12)18(20)11-19-17-7-5-6-13(2)15(17)4/h5-10,19H,11H2,1-4H3
InChIKeyIANSQSDADQPQIE-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone (CID 82123131) is 2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(C(=O)CNc2cccc(C)c2C)c1.
What is the InChIKey of 2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is IANSQSDADQPQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-8-9-14(3)16(10-12)18(20)11-19-17-7-5-6-13(2)15(17)4/h5-10,19H,11H2,1-4H3.
What are the key properties of 2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone?
2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 267.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 82123131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).