1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone

C12H17NO — CID 59080758

IUPAC1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(C)c(NC(C)C)c1
InChIInChI=1S/C12H17NO/c1-8(2)13-12-7-11(10(4)14)6-5-9(12)3/h5-8,13H,1-4H3
InChIKeyKFXTWTMXUOMNKP-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.02
Rot. Bonds3

About 1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone

1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone (PubChem CID 59080758) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
PubChem CID59080758
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(C)c(NC(C)C)c1
InChIInChI=1S/C12H17NO/c1-8(2)13-12-7-11(10(4)14)6-5-9(12)3/h5-8,13H,1-4H3
InChIKeyKFXTWTMXUOMNKP-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone
CID 82468958
1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea
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1-(5-acetyl-2-methylphenyl)-3-butan-2-ylurea
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1-(5-acetyl-2-methylphenyl)-3-(3-methylbutyl)urea
CID 110618442
5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 39357441
N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide
CID 17428772
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
1-[4-(4,4-dimethylhexan-2-yl)-3-(propan-2-ylamino)phenyl]ethanone
CID 176939631
4-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590491
1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone
CID 110612637
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone?
The IUPAC name of 1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone (CID 59080758) is 1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone is CC(=O)c1ccc(C)c(NC(C)C)c1.
What is the InChIKey of 1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone?
The InChIKey is KFXTWTMXUOMNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)13-12-7-11(10(4)14)6-5-9(12)3/h5-8,13H,1-4H3.
What are the key properties of 1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone?
1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone has a molecular weight of 191.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone is sourced from PubChem (CID 59080758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).