{2-[(1-bromonaphthalen-2-yl)oxy]ethyl}(3-methoxypropyl)amine

• ChemBase ID: 311864
• Molecular Formular: C16H20BrNO2
• Molecular Mass: 338.2395
• Monoisotopic Mass: 337.06774089
• SMILES: c1(c2c(ccc1OCCNCCCOC)cccc2)Br
• Canonical SMILES: COCCCNCCOc1ccc2c(c1Br)cccc2
• InChI: InChI=1S/C16H20BrNO2/c1-19-11-4-9-18-10-12-20-15-8-7-13-5-2-3-6-14(13)16(15)17/h2-3,5-8,18H,4,9-12H2,1H3
• InChIKey: GSJWGCDVVCKFOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(1-bromonaphthalen-2-yl)oxy]ethyl}(3-methoxypropyl)amine
• IUPAC Traditional name: {2-[(1-bromonaphthalen-2-yl)oxy]ethyl}(3-methoxypropyl)amine
• Synonyms: N-{2-[(1-bromo-2-naphthyl)oxy]ethyl}-3-methoxypropan-1-amine

Database IDs

• CAS Number: 435284-61-0
• MDL Number: MFCD03710207

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.050583683
• LogD (pH = 7.4): 1.1515304
• Log P: 3.2223847
• Molar Refractivity: 85.2275 cm^3
• Polarizability: 34.44317 Å^3
• Polar Surface Area: 30.49 Å^2