2-[4-(2,2-diphenylethyl)morpholin-2-yl]ethan-1-amine

• ChemBase ID: 676510
• Molecular Formular: C20H26N2O
• Molecular Mass: 310.43324
• Monoisotopic Mass: 310.20451346
• SMILES: N1(CC(c2ccccc2)c2ccccc2)CC(OCC1)CCN
• Canonical SMILES: NCCC1OCCN(C1)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H26N2O/c21-12-11-19-15-22(13-14-23-19)16-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16,21H2
• InChIKey: XQXJTICYXFHXLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2,2-diphenylethyl)morpholin-2-yl]ethan-1-amine
• IUPAC Traditional name: 2-[4-(2,2-diphenylethyl)morpholin-2-yl]ethanamine
• Synonyms: 2-[4-(2,2-diphenylethyl)morpholin-2-yl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.989094
• LogD (pH = 7.4): -0.7534783
• Log P: 2.806323
• Molar Refractivity: 95.4822 cm^3
• Polarizability: 37.64931 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.53
• LOG S: -2.62
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 6