[(2-chlorophenyl)methyl]({[2-(morpholin-4-yl)pyridin-3-yl]methyl})amine

• ChemBase ID: 634151
• Molecular Formular: C17H20ClN3O
• Molecular Mass: 317.8132
• Monoisotopic Mass: 317.12948996
• SMILES: c1(N2CCOCC2)c(CNCc2c(Cl)cccc2)cccn1
• Canonical SMILES: Clc1ccccc1CNCc1cccnc1N1CCOCC1
• InChI: InChI=1S/C17H20ClN3O/c18-16-6-2-1-4-14(16)12-19-13-15-5-3-7-20-17(15)21-8-10-22-11-9-21/h1-7,19H,8-13H2
• InChIKey: DBKXOGBZCWWDFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chlorophenyl)methyl]({[2-(morpholin-4-yl)pyridin-3-yl]methyl})amine
• IUPAC Traditional name: [(2-chlorophenyl)methyl]({[2-(morpholin-4-yl)pyridin-3-yl]methyl})amine
• Synonyms: (2-chlorobenzyl){[2-(4-morpholinyl)-3-pyridinyl]methyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.86429125
• LogD (pH = 7.4): 2.6088846
• Log P: 3.126441
• Molar Refractivity: 90.3831 cm^3
• Polarizability: 34.55991 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.25
• LOG S: -3.03
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 5