N-(2-aminophenyl)-2-methylpropanamide

• ChemBase ID: 308069
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(Nc1c(N)cccc1)C(C)C
• Canonical SMILES: O=C(C(C)C)Nc1ccccc1N
• InChI: InChI=1S/C10H14N2O/c1-7(2)10(13)12-9-6-4-3-5-8(9)11/h3-7H,11H2,1-2H3,(H,12,13)
• InChIKey: HUOFXLAKEWCXII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)-2-methylpropanamide
• IUPAC Traditional name: N-(2-aminophenyl)-2-methylpropanamide
• Synonyms: N-(2-aminophenyl)-2-methylpropanamide

Database IDs

• CAS Number: 255735-87-6
• MDL Number: MFCD09045519

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6215342
• LogD (pH = 7.4): 1.6255014
• Log P: 1.6255523
• Molar Refractivity: 54.8228 cm^3
• Polarizability: 20.02996 Å^3
• Polar Surface Area: 55.12 Å^2