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

• ChemBase ID: 23045
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: C(=O)(Nc1c(cc(N)cc1)C)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1ccc(cc1C)N
• InChI: InChI=1S/C11H14N2O/c1-7-6-9(12)4-5-10(7)13-11(14)8-2-3-8/h4-6,8H,2-3,12H2,1H3,(H,13,14)
• InChIKey: LUGGHERUDDAAFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09046188
• PubChem SID: 160986352
• PubChem CID: 16773816

CALCULATED PROPERTIES

• Acid pKa: 15.992285
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6515661
• LogD (pH = 7.4): 1.6749414
• Log P: 1.6752478
• Molar Refractivity: 58.0618 cm^3
• Polarizability: 21.064165 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false