N-(5-amino-2-methoxyphenyl)cyclopropanecarboxamide

• ChemBase ID: 22839
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: C(=O)(Nc1cc(N)ccc1OC)C1CC1
• Canonical SMILES: COc1ccc(cc1NC(=O)C1CC1)N
• InChI: InChI=1S/C11H14N2O2/c1-15-10-5-4-8(12)6-9(10)13-11(14)7-2-3-7/h4-7H,2-3,12H2,1H3,(H,13,14)
• InChIKey: FAHKFTMOERFXPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)cyclopropanecarboxamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)cyclopropanecarboxamide

Database IDs

• MDL Number: MFCD09046841
• PubChem SID: 160986146
• PubChem CID: 16774453

CALCULATED PROPERTIES

• Acid pKa: 12.3086
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.94155896
• LogD (pH = 7.4): 1.0033025
• Log P: 1.0041552
• Molar Refractivity: 59.4838 cm^3
• Polarizability: 21.82733 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false