1-(3-methoxyphenyl)cyclopropan-1-amine

• ChemBase ID: 237846
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: C1(CC1)(c1cc(OC)ccc1)N
• Canonical SMILES: COc1cccc(c1)C1(N)CC1
• InChI: InChI=1S/C10H13NO/c1-12-9-4-2-3-8(7-9)10(11)5-6-10/h2-4,7H,5-6,11H2,1H3
• InChIKey: QOUFBHVWPGAWAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxyphenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(3-methoxyphenyl)cyclopropan-1-amine
• Synonyms: 1-(3-methoxyphenyl)cyclopropan-1-amine; 1-(3-METHOXYPHENYL)CYCLOPROPANAMINE

Database IDs

• CAS Number: 604799-95-3
• MDL Number: MFCD07374479
• PubChem SID: 164293756
• PubChem CID: 11008251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6598698
• LogD (pH = 7.4): -0.7424527
• Log P: 1.3306762
• Molar Refractivity: 48.0954 cm^3
• Polarizability: 19.173988 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.357

Product Information

• Purity: 95%; 98%