2-(2-methoxyethyl)-4-[(2-propoxynaphthalen-1-yl)methyl]morpholine

• ChemBase ID: 584380
• Molecular Formular: C21H29NO3
• Molecular Mass: 343.45986
• Monoisotopic Mass: 343.21474379
• SMILES: c1(c2c(ccc1OCCC)cccc2)CN1CC(OCC1)CCOC
• Canonical SMILES: CCCOc1ccc2c(c1CN1CCOC(C1)CCOC)cccc2
• InChI: InChI=1S/C21H29NO3/c1-3-12-25-21-9-8-17-6-4-5-7-19(17)20(21)16-22-11-14-24-18(15-22)10-13-23-2/h4-9,18H,3,10-16H2,1-2H3
• InChIKey: SPPLENMBVGTPGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-4-[(2-propoxynaphthalen-1-yl)methyl]morpholine
• IUPAC Traditional name: 2-(2-methoxyethyl)-4-[(2-propoxynaphthalen-1-yl)methyl]morpholine
• Synonyms: 2-(2-methoxyethyl)-4-[(2-propoxy-1-naphthyl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7262156
• LogD (pH = 7.4): 3.2460213
• Log P: 3.4800293
• Molar Refractivity: 101.4403 cm^3
• Polarizability: 40.97819 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.51
• LOG S: -3.69
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 8