2-[4-({2-[(4-chlorophenyl)methoxy]phenyl}methyl)morpholin-2-yl]ethan-1-amine

• ChemBase ID: 467731
• Molecular Formular: C20H25ClN2O2
• Molecular Mass: 360.8777
• Monoisotopic Mass: 360.16045573
• SMILES: N1(Cc2c(OCc3ccc(Cl)cc3)cccc2)CC(OCC1)CCN
• Canonical SMILES: NCCC1OCCN(C1)Cc1ccccc1OCc1ccc(cc1)Cl
• InChI: InChI=1S/C20H25ClN2O2/c21-18-7-5-16(6-8-18)15-25-20-4-2-1-3-17(20)13-23-11-12-24-19(14-23)9-10-22/h1-8,19H,9-15,22H2
• InChIKey: ZCPGYINRAGXAOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-({2-[(4-chlorophenyl)methoxy]phenyl}methyl)morpholin-2-yl]ethan-1-amine
• IUPAC Traditional name: 2-[4-({2-[(4-chlorophenyl)methoxy]phenyl}methyl)morpholin-2-yl]ethanamine
• Synonyms: 2-(4-{2-[(4-chlorobenzyl)oxy]benzyl}morpholin-2-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2279195
• LogD (pH = 7.4): 0.52122736
• Log P: 3.1897316
• Molar Refractivity: 102.0412 cm^3
• Polarizability: 40.200817 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.88
• LOG S: -3.28
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 7