2-[(2-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)morpholine

• ChemBase ID: 488325
• Molecular Formular: C17H19ClN2O
• Molecular Mass: 302.79856
• Monoisotopic Mass: 302.11859092
• SMILES: N1(Cc2cnccc2)CC(Cc2c(Cl)cccc2)OCC1
• Canonical SMILES: Clc1ccccc1CC1OCCN(C1)Cc1cccnc1
• InChI: InChI=1S/C17H19ClN2O/c18-17-6-2-1-5-15(17)10-16-13-20(8-9-21-16)12-14-4-3-7-19-11-14/h1-7,11,16H,8-10,12-13H2
• InChIKey: ZEDHPCHVUJWODC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)morpholine
• IUPAC Traditional name: 2-[(2-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)morpholine
• Synonyms: 2-(2-chlorobenzyl)-4-(3-pyridinylmethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4668045
• LogD (pH = 7.4): 3.134684
• Log P: 3.1554158
• Molar Refractivity: 85.3609 cm^3
• Polarizability: 33.34256 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.19
• LOG S: -2.44
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 4