{2-[(1-bromonaphthalen-2-yl)oxy]ethyl}(2-methoxyethyl)amine

• ChemBase ID: 311867
• Molecular Formular: C15H18BrNO2
• Molecular Mass: 324.21292
• Monoisotopic Mass: 323.05209082
• SMILES: c1(c2c(ccc1OCCNCCOC)cccc2)Br
• Canonical SMILES: COCCNCCOc1ccc2c(c1Br)cccc2
• InChI: InChI=1S/C15H18BrNO2/c1-18-10-8-17-9-11-19-14-7-6-12-4-2-3-5-13(12)15(14)16/h2-7,17H,8-11H2,1H3
• InChIKey: PEBBULGYBRHBPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(1-bromonaphthalen-2-yl)oxy]ethyl}(2-methoxyethyl)amine
• IUPAC Traditional name: {2-[(1-bromonaphthalen-2-yl)oxy]ethyl}(2-methoxyethyl)amine
• Synonyms: 2-[(1-bromo-2-naphthyl)oxy]-N-(2-methoxyethyl)ethanamine

Database IDs

• CAS Number: 435288-40-7
• MDL Number: MFCD03710385

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.16016363
• LogD (pH = 7.4): 1.6812254
• Log P: 3.162425
• Molar Refractivity: 80.3621 cm^3
• Polarizability: 32.606747 Å^3
• Polar Surface Area: 30.49 Å^2