2-(2-methoxyethyl)-4-[(2-phenylphenyl)methyl]morpholine

• ChemBase ID: 585337
• Molecular Formular: C20H25NO2
• Molecular Mass: 311.418
• Monoisotopic Mass: 311.18852905
• SMILES: N1(Cc2c(c3ccccc3)cccc2)CC(OCC1)CCOC
• Canonical SMILES: COCCC1OCCN(C1)Cc1ccccc1c1ccccc1
• InChI: InChI=1S/C20H25NO2/c1-22-13-11-19-16-21(12-14-23-19)15-18-9-5-6-10-20(18)17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3
• InChIKey: PRVRYSLTUUYZOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-4-[(2-phenylphenyl)methyl]morpholine
• IUPAC Traditional name: 2-(2-methoxyethyl)-4-[(2-phenylphenyl)methyl]morpholine
• Synonyms: 4-(biphenyl-2-ylmethyl)-2-(2-methoxyethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.13271
• LogD (pH = 7.4): 2.8650036
• Log P: 3.4161189
• Molar Refractivity: 94.3905 cm^3
• Polarizability: 38.265465 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: 3.06
• LOG S: -3.08
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 6