2-(4-methoxyphenyl)cyclopropan-1-amine

• ChemBase ID: 267992
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: C1(CC1N)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1CC1N
• InChI: InChI=1S/C10H13NO/c1-12-8-4-2-7(3-5-8)9-6-10(9)11/h2-5,9-10H,6,11H2,1H3
• InChIKey: SCLDJNREJBDLHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)cyclopropan-1-amine
• IUPAC Traditional name: 2-(4-methoxyphenyl)cyclopropan-1-amine
• Synonyms: 2-(4-methoxyphenyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD11934497
• PubChem SID: 164323902
• PubChem CID: 3082143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8199159
• LogD (pH = 7.4): -1.0044371
• Log P: 1.1812112
• Molar Refractivity: 48.1598 cm^3
• Polarizability: 19.096912 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.397

Product Information

• Purity: 95%