N-methyl-N-[2-(4-phenylphenyl)ethyl]oxan-4-amine

• ChemBase ID: 438634
• Molecular Formular: C20H25NO
• Molecular Mass: 295.4186
• Monoisotopic Mass: 295.19361443
• SMILES: N(C1CCOCC1)(CCc1ccc(c2ccccc2)cc1)C
• Canonical SMILES: CN(C1CCOCC1)CCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C20H25NO/c1-21(20-12-15-22-16-13-20)14-11-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
• InChIKey: PYFABJSWRSQEBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(4-phenylphenyl)ethyl]oxan-4-amine
• IUPAC Traditional name: N-methyl-N-[2-(4-phenylphenyl)ethyl]oxan-4-amine
• Synonyms: N-[2-(4-biphenylyl)ethyl]-N-methyltetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.36878765
• LogD (pH = 7.4): 1.4039534
• Log P: 3.8117154
• Molar Refractivity: 92.9674 cm^3
• Polarizability: 37.553207 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.63
• LOG S: -3.38
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 5