N-[(4-methylphenyl)methyl]cyclopropanamine

• ChemBase ID: 255351
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1(CC1)NCc1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)CNC1CC1
• InChI: InChI=1S/C11H15N/c1-9-2-4-10(5-3-9)8-12-11-6-7-11/h2-5,11-12H,6-8H2,1H3
• InChIKey: JRPNBGMYKFLJGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07408116
• PubChem SID: 164311261
• PubChem CID: 4719961

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.66178393
• LogD (pH = 7.4): 0.4362219
• Log P: 2.5105805
• Molar Refractivity: 51.5584 cm^3
• Polarizability: 20.309246 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.363

Product Information

• Purity: 95%