1-{[2-(benzyloxy)phenyl]methyl}-3-methoxypyrrolidine

• ChemBase ID: 764011
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: N1(Cc2c(OCc3ccccc3)cccc2)CC(CC1)OC
• Canonical SMILES: COC1CCN(C1)Cc1ccccc1OCc1ccccc1
• InChI: InChI=1S/C19H23NO2/c1-21-18-11-12-20(14-18)13-17-9-5-6-10-19(17)22-15-16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3
• InChIKey: KNLNYZZNCGFBGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(benzyloxy)phenyl]methyl}-3-methoxypyrrolidine
• IUPAC Traditional name: 1-{[2-(benzyloxy)phenyl]methyl}-3-methoxypyrrolidine
• Synonyms: 1-[2-(benzyloxy)benzyl]-3-methoxypyrrolidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6849989
• LogD (pH = 7.4): 2.4578116
• Log P: 3.3826709
• Molar Refractivity: 89.2866 cm^3
• Polarizability: 34.997242 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.88
• LOG S: -2.82
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 6