4-benzyl-2-[(3-methoxyphenyl)methyl]morpholine

• ChemBase ID: 764487
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: N1(CC(OCC1)Cc1cc(OC)ccc1)Cc1ccccc1
• Canonical SMILES: COc1cccc(c1)CC1OCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C19H23NO2/c1-21-18-9-5-8-17(12-18)13-19-15-20(10-11-22-19)14-16-6-3-2-4-7-16/h2-9,12,19H,10-11,13-15H2,1H3
• InChIKey: ZHVUHQVIGZXASH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzyl-2-[(3-methoxyphenyl)methyl]morpholine
• IUPAC Traditional name: 4-benzyl-2-[(3-methoxyphenyl)methyl]morpholine
• Synonyms: 4-benzyl-2-(3-methoxybenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6699713
• LogD (pH = 7.4): 3.285552
• Log P: 3.6113722
• Molar Refractivity: 89.1762 cm^3
• Polarizability: 34.922123 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.9
• LOG S: -2.68
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4