1-[(4-methylphenyl)methyl]cyclopropan-1-amine

• ChemBase ID: 308637
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1(CC1)(Cc1ccc(cc1)C)N
• Canonical SMILES: NC1(CC1)Cc1ccc(cc1)C
• InChI: InChI=1S/C11H15N/c1-9-2-4-10(5-3-9)8-11(12)6-7-11/h2-5H,6-8,12H2,1H3
• InChIKey: WXLBBEOVYBPBGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-methylphenyl)methyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[(4-methylphenyl)methyl]cyclopropan-1-amine
• Synonyms: 1-(4-methylbenzyl)cyclopropanamine

Database IDs

• CAS Number: 27018-59-3
• MDL Number: MFCD09888601

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.098974496
• Log P: 2.29043
• Molar Refractivity: 51.4284 cm^3
• Polarizability: 20.230036 Å^3
• Polar Surface Area: 26.02 Å^2
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.72441506