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

• ChemBase ID: 268260
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: C1(CC1N)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C1CC1N
• InChI: InChI=1S/C10H13NO/c1-12-10-5-3-2-4-7(10)8-6-9(8)11/h2-5,8-9H,6,11H2,1H3
• InChIKey: DHHVOLWFZZZOCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11934495
• PubChem SID: 164324170
• PubChem CID: 13972198

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8117286
• LogD (pH = 7.4): -0.91513073
• Log P: 1.1812112
• Molar Refractivity: 48.1598 cm^3
• Polarizability: 19.098488 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.997

Product Information

• Purity: 95%