1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone

C15H23NO — CID 43795100

IUPAC1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
SMILESCCN(CC(=O)c1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C15H23NO/c1-6-16(11(2)3)10-15(17)14-8-7-12(4)13(5)9-14/h7-9,11H,6,10H2,1-5H3
InChIKeyZODFUMXKPVHLRS-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.22
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone

1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone (PubChem CID 43795100) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
PubChem CID43795100
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
SMILESCCN(CC(=O)c1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C15H23NO/c1-6-16(11(2)3)10-15(17)14-8-7-12(4)13(5)9-14/h7-9,11H,6,10H2,1-5H3
InChIKeyZODFUMXKPVHLRS-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydroxyphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795104
2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 43795097
2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone
CID 43795164
2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
CID 43795126
1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420264
1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794892
2-butan-2-ylsulfonyl-1-(3,4-dimethylphenyl)ethanone
CID 64643554
2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfonylpropanoic acid
CID 82180814
2-[2-(dimethylamino)ethyl-methylamino]-1-(3,4-dimethylphenyl)ethanone
CID 63701272
1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850026
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488675

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone (CID 43795100) is 1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone is CCN(CC(=O)c1ccc(C)c(C)c1)C(C)C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone?
The InChIKey is ZODFUMXKPVHLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-16(11(2)3)10-15(17)14-8-7-12(4)13(5)9-14/h7-9,11H,6,10H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone?
1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone has a molecular weight of 233.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 43795100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).