N-(2-amino-4-methylphenyl)propanamide

• ChemBase ID: 308251
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N(c1c(cc(cc1)C)N)C(=O)CC
• Canonical SMILES: CCC(=O)Nc1ccc(cc1N)C
• InChI: InChI=1S/C10H14N2O/c1-3-10(13)12-9-5-4-7(2)6-8(9)11/h4-6H,3,11H2,1-2H3,(H,12,13)
• InChIKey: DPYFFXWTKMHLIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-methylphenyl)propanamide
• IUPAC Traditional name: N-(2-amino-4-methylphenyl)propanamide
• Synonyms: N-(2-amino-4-methylphenyl)propanamide

Database IDs

• CAS Number: 946736-97-6
• MDL Number: MFCD10686594

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5899097
• LogD (pH = 7.4): 1.5959103
• Log P: 1.5959874
• Molar Refractivity: 55.2895 cm^3
• Polarizability: 19.952051 Å^3
• Polar Surface Area: 55.12 Å^2