2-[3-(dimethylamino)propoxy]-3-methoxybenzaldehyde

• ChemBase ID: 312148
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: c1(c(C=O)cccc1OC)OCCCN(C)C
• Canonical SMILES: COc1cccc(c1OCCCN(C)C)C=O
• InChI: InChI=1S/C13H19NO3/c1-14(2)8-5-9-17-13-11(10-15)6-4-7-12(13)16-3/h4,6-7,10H,5,8-9H2,1-3H3
• InChIKey: IOSXILJZFQRXMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(dimethylamino)propoxy]-3-methoxybenzaldehyde
• IUPAC Traditional name: 2-[3-(dimethylamino)propoxy]-3-methoxybenzaldehyde
• Synonyms: 2-[3-(dimethylamino)propoxy]-3-methoxybenzaldehyde hydrochloride

Database IDs

• MDL Number: MFCD07362842

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4747994
• LogD (pH = 7.4): 0.264998
• Log P: 1.4490099
• Molar Refractivity: 68.4529 cm^3
• Polarizability: 26.152454 Å^3
• Polar Surface Area: 38.77 Å^2