2-[(3-methoxyphenyl)methyl]-4-(pyrazin-2-yl)morpholine

• ChemBase ID: 794880
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: N1(c2nccnc2)CC(OCC1)Cc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CC1OCCN(C1)c1cnccn1
• InChI: InChI=1S/C16H19N3O2/c1-20-14-4-2-3-13(9-14)10-15-12-19(7-8-21-15)16-11-17-5-6-18-16/h2-6,9,11,15H,7-8,10,12H2,1H3
• InChIKey: QQNXQFFYPUXVQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-methoxyphenyl)methyl]-4-(pyrazin-2-yl)morpholine
• IUPAC Traditional name: 2-[(3-methoxyphenyl)methyl]-4-(pyrazin-2-yl)morpholine
• Synonyms: 2-(3-methoxybenzyl)-4-(2-pyrazinyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9370292
• LogD (pH = 7.4): 1.9371307
• Log P: 1.937132
• Molar Refractivity: 81.0618 cm^3
• Polarizability: 30.880236 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.25
• LOG S: -3.05
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 3