4-[(3-chloropyridin-4-yl)methyl]-2-(2-methoxyethyl)morpholine

• ChemBase ID: 525701
• Molecular Formular: C13H19ClN2O2
• Molecular Mass: 270.75516
• Monoisotopic Mass: 270.11350554
• SMILES: N1(Cc2c(Cl)cncc2)CC(OCC1)CCOC
• Canonical SMILES: COCCC1OCCN(C1)Cc1ccncc1Cl
• InChI: InChI=1S/C13H19ClN2O2/c1-17-6-3-12-10-16(5-7-18-12)9-11-2-4-15-8-13(11)14/h2,4,8,12H,3,5-7,9-10H2,1H3
• InChIKey: LZQJJFISMCUVHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3-chloropyridin-4-yl)methyl]-2-(2-methoxyethyl)morpholine
• IUPAC Traditional name: 4-[(3-chloropyridin-4-yl)methyl]-2-(2-methoxyethyl)morpholine
• Synonyms: 4-[(3-chloropyridin-4-yl)methyl]-2-(2-methoxyethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.62077796
• LogD (pH = 7.4): 1.142204
• Log P: 1.1552657
• Molar Refractivity: 71.9022 cm^3
• Polarizability: 28.24185 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.65
• LOG S: -0.72
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 5