N-(2-aminophenyl)-3-methylbutanamide

• ChemBase ID: 308211
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(Nc1c(N)cccc1)CC(C)C
• Canonical SMILES: CC(CC(=O)Nc1ccccc1N)C
• InChI: InChI=1S/C11H16N2O/c1-8(2)7-11(14)13-10-6-4-3-5-9(10)12/h3-6,8H,7,12H2,1-2H3,(H,13,14)
• InChIKey: PQMGTKUOCXKMLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)-3-methylbutanamide
• IUPAC Traditional name: N-(2-aminophenyl)-3-methylbutanamide
• Synonyms: N-(2-aminophenyl)-3-methylbutanamide

Database IDs

• CAS Number: 52905-00-7
• MDL Number: MFCD09047555

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8099383
• LogD (pH = 7.4): 1.8141004
• Log P: 1.8141538
• Molar Refractivity: 59.3979 cm^3
• Polarizability: 21.87287 Å^3
• Polar Surface Area: 55.12 Å^2