2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzaldehyde

• ChemBase ID: 312145
• Molecular Formular: C15H21NO3
• Molecular Mass: 263.33214
• Monoisotopic Mass: 263.15214354
• SMILES: N1(CC(OC(C1)C)C)CCOc1c(C=O)cccc1
• Canonical SMILES: O=Cc1ccccc1OCCN1CC(C)OC(C1)C
• InChI: InChI=1S/C15H21NO3/c1-12-9-16(10-13(2)19-12)7-8-18-15-6-4-3-5-14(15)11-17/h3-6,11-13H,7-10H2,1-2H3
• InChIKey: MEFQSSDZWAILIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzaldehyde
• IUPAC Traditional name: 2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzaldehyde
• Synonyms: 2-[2-(2,6-dimethyl-4-morpholinyl)ethoxy]benzaldehyde hydrochloride

Database IDs

• MDL Number: MFCD08068149

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2374586
• LogD (pH = 7.4): 2.1226373
• Log P: 2.161371
• Molar Refractivity: 75.0364 cm^3
• Polarizability: 29.121334 Å^3
• Polar Surface Area: 38.77 Å^2