2-(naphthalen-1-ylmethyl)-4-(oxan-4-yl)morpholine

• ChemBase ID: 715322
• Molecular Formular: C20H25NO2
• Molecular Mass: 311.418
• Monoisotopic Mass: 311.18852905
• SMILES: N1(CC(Cc2c3c(ccc2)cccc3)OCC1)C1CCOCC1
• Canonical SMILES: O1CCC(CC1)N1CCOC(C1)Cc1cccc2c1cccc2
• InChI: InChI=1S/C20H25NO2/c1-2-7-20-16(4-1)5-3-6-17(20)14-19-15-21(10-13-23-19)18-8-11-22-12-9-18/h1-7,18-19H,8-15H2
• InChIKey: RFKOCISBXUWNTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-ylmethyl)-4-(oxan-4-yl)morpholine
• IUPAC Traditional name: 2-(naphthalen-1-ylmethyl)-4-(oxan-4-yl)morpholine
• Synonyms: 2-(1-naphthylmethyl)-4-(tetrahydro-2H-pyran-4-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.36945447
• LogD (pH = 7.4): 2.143538
• Log P: 2.9952333
• Molar Refractivity: 93.0261 cm^3
• Polarizability: 37.67606 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.97
• LOG S: -2.74
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 3