1-[(3-methylphenyl)methyl]cyclopropan-1-amine

• ChemBase ID: 308596
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1(CC1)(Cc1cc(ccc1)C)N
• Canonical SMILES: Cc1cccc(c1)CC1(N)CC1
• InChI: InChI=1S/C11H15N/c1-9-3-2-4-10(7-9)8-11(12)5-6-11/h2-4,7H,5-6,8,12H2,1H3
• InChIKey: VJIPYCHSUAYUQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-methylphenyl)methyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[(3-methylphenyl)methyl]cyclopropan-1-amine
• Synonyms: 1-(3-methylbenzyl)cyclopropanamine

Database IDs

• CAS Number: 92146-66-2
• MDL Number: MFCD09888600

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.72376406
• LogD (pH = 7.4): -0.086960405
• Log P: 2.29043
• Molar Refractivity: 51.4284 cm^3
• Polarizability: 20.230347 Å^3
• Polar Surface Area: 26.02 Å^2