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

• ChemBase ID: 642512
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: N1(Cc2ncccc2)CC(OCC1)CCCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CCCC1OCCN(C1)Cc1ccccn1
• InChI: InChI=1S/C19H24N2O/c1-2-7-17(8-3-1)9-6-11-19-16-21(13-14-22-19)15-18-10-4-5-12-20-18/h1-5,7-8,10,12,19H,6,9,11,13-16H2
• InChIKey: RCKDWAAHEANPCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8191595
• LogD (pH = 7.4): 3.5003576
• Log P: 3.5219803
• Molar Refractivity: 89.2359 cm^3
• Polarizability: 35.199306 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: -3.16
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 6