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

• ChemBase ID: 315256
• Molecular Formular: C20H19ClN2O2
• Molecular Mass: 354.83006
• Monoisotopic Mass: 354.11350554
• SMILES: c1(Oc2c(OC)cccc2)c(CNCc2c(Cl)cccc2)cccn1
• Canonical SMILES: COc1ccccc1Oc1ncccc1CNCc1ccccc1Cl
• InChI: InChI=1S/C20H19ClN2O2/c1-24-18-10-4-5-11-19(18)25-20-16(8-6-12-23-20)14-22-13-15-7-2-3-9-17(15)21/h2-12,22H,13-14H2,1H3
• InChIKey: OAZTXYSDLBUESQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.405327
• LogD (pH = 7.4): 4.096831
• Log P: 4.5795135
• Molar Refractivity: 99.584 cm^3
• Polarizability: 38.942204 Å^3
• Polar Surface Area: 43.38 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: 3.55
• LOG S: -4.36
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 6