3-(4-aminophenyl)-N-cyclopropylpropanamide

• ChemBase ID: 312224
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: C1(NC(=O)CCc2ccc(N)cc2)CC1
• Canonical SMILES: O=C(NC1CC1)CCc1ccc(cc1)N
• InChI: InChI=1S/C12H16N2O/c13-10-4-1-9(2-5-10)3-8-12(15)14-11-6-7-11/h1-2,4-5,11H,3,6-8,13H2,(H,14,15)
• InChIKey: ZFQIJCPXBCHLEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-aminophenyl)-N-cyclopropylpropanamide
• IUPAC Traditional name: 3-(4-aminophenyl)-N-cyclopropylpropanamide
• Synonyms: 3-(4-aminophenyl)-N-cyclopropylpropanamide

Database IDs

• CAS Number: 698992-37-9
• MDL Number: MFCD05857485

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0828971
• LogD (pH = 7.4): 1.108597
• Log P: 1.1089348
• Molar Refractivity: 60.5971 cm^3
• Polarizability: 22.995079 Å^3
• Polar Surface Area: 55.12 Å^2