2-(3-phenylpropyl)-4-(pyridin-3-ylmethyl)morpholine

• ChemBase ID: 456629
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: N1(Cc2cnccc2)CC(OCC1)CCCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CCCC1OCCN(C1)Cc1cccnc1
• InChI: InChI=1S/C19H24N2O/c1-2-6-17(7-3-1)8-4-10-19-16-21(12-13-22-19)15-18-9-5-11-20-14-18/h1-3,5-7,9,11,14,19H,4,8,10,12-13,15-16H2
• InChIKey: ITMQYGOCQUBNLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropyl)-4-(pyridin-3-ylmethyl)morpholine
• IUPAC Traditional name: 2-(3-phenylpropyl)-4-(pyridin-3-ylmethyl)morpholine
• Synonyms: 2-(3-phenylpropyl)-4-(3-pyridinylmethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0558968
• LogD (pH = 7.4): 3.3283284
• Log P: 3.4405084
• Molar Refractivity: 89.7581 cm^3
• Polarizability: 35.19844 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.39
• LOG S: -2.79
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 6