(2,2-diphenylethyl)(methyl)[2-(oxan-4-yl)ethyl]amine

• ChemBase ID: 687187
• Molecular Formular: C22H29NO
• Molecular Mass: 323.47176
• Monoisotopic Mass: 323.22491455
• SMILES: C(CN(CCC1CCOCC1)C)(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(CC(c1ccccc1)c1ccccc1)CCC1CCOCC1
• InChI: InChI=1S/C22H29NO/c1-23(15-12-19-13-16-24-17-14-19)18-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3
• InChIKey: LCCDAVJVUBQTEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-diphenylethyl)(methyl)[2-(oxan-4-yl)ethyl]amine
• IUPAC Traditional name: (2,2-diphenylethyl)(methyl)[2-(oxan-4-yl)ethyl]amine
• Synonyms: (2,2-diphenylethyl)methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0292569
• LogD (pH = 7.4): 1.9275494
• Log P: 4.4904823
• Molar Refractivity: 101.8938 cm^3
• Polarizability: 39.824463 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.26
• LOG S: -4.19
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 7