4-benzyl-2-(4-methoxyphenyl)morpholine

• ChemBase ID: 239999
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: N1(CC(c2ccc(cc2)OC)OCC1)Cc1ccccc1
• Canonical SMILES: COc1ccc(cc1)C1OCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C18H21NO2/c1-20-17-9-7-16(8-10-17)18-14-19(11-12-21-18)13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3
• InChIKey: YLPOPUYKZRQCKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzyl-2-(4-methoxyphenyl)morpholine
• IUPAC Traditional name: 4-benzyl-2-(4-methoxyphenyl)morpholine
• Synonyms: 4-benzyl-2-(4-methoxyphenyl)morpholine

Database IDs

• MDL Number: MFCD09959891
• PubChem SID: 164295909
• PubChem CID: 46741294

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4195052
• LogD (pH = 7.4): 3.0173786
• Log P: 3.322711
• Molar Refractivity: 84.4212 cm^3
• Polarizability: 33.151165 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.366

Product Information

• Purity: 95%