1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone

C18H21NO — CID 21420194

IUPAC1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)c1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-4-19(16-8-6-5-7-9-16)13-18(20)17-11-10-14(2)12-15(17)3/h5-12H,4,13H2,1-3H3
InChIKeyXFXFQBQFJIAWHA-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.01
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone

1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone (PubChem CID 21420194) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
PubChem CID21420194
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)c1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-4-19(16-8-6-5-7-9-16)13-18(20)17-11-10-14(2)12-15(17)3/h5-12H,4,13H2,1-3H3
InChIKeyXFXFQBQFJIAWHA-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
CID 61102989
1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420264
1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
CID 63566838
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone
CID 110654072
4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 67654741
1-(2,4-dimethylphenyl)-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone;hydrobromide
CID 45136102
1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63965525
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone
CID 63566987
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide
CID 100533680

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone (CID 21420194) is 1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone is CCN(CC(=O)c1ccc(C)cc1C)c1ccccc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone?
The InChIKey is XFXFQBQFJIAWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-19(16-8-6-5-7-9-16)13-18(20)17-11-10-14(2)12-15(17)3/h5-12H,4,13H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone?
1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone has a molecular weight of 267.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone is sourced from PubChem (CID 21420194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).