N-(2-phenylpropyl)-N-(pyridin-4-ylmethyl)cyclopropanamine

• ChemBase ID: 458130
• Molecular Formular: C18H22N2
• Molecular Mass: 266.38068
• Monoisotopic Mass: 266.17829871
• SMILES: N(C1CC1)(CC(c1ccccc1)C)Cc1ccncc1
• Canonical SMILES: CC(c1ccccc1)CN(C1CC1)Cc1ccncc1
• InChI: InChI=1S/C18H22N2/c1-15(17-5-3-2-4-6-17)13-20(18-7-8-18)14-16-9-11-19-12-10-16/h2-6,9-12,15,18H,7-8,13-14H2,1H3
• InChIKey: VEXDHNSQIIPUSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-phenylpropyl)-N-(pyridin-4-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(2-phenylpropyl)-N-(pyridin-4-ylmethyl)cyclopropanamine
• Synonyms: N-(2-phenylpropyl)-N-(pyridin-4-ylmethyl)cyclopropanamine

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 1.6134837
• Log P: 3.5406418
• Molar Refractivity: 83.4942 cm^3
• Polarizability: 32.698265 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.20324291

供应商提供(Chembridge)

• Log P: 3.3
• LOG S: -1.65
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 6
• H Acceptors: 2
• H Donor: 0