[2-(2-bromophenoxy)ethyl](ethyl)amine

• ChemBase ID: 312189
• Molecular Formular: C10H14BrNO
• Molecular Mass: 244.12826
• Monoisotopic Mass: 243.02587607
• SMILES: c1(c(OCCNCC)cccc1)Br
• Canonical SMILES: CCNCCOc1ccccc1Br
• InChI: InChI=1S/C10H14BrNO/c1-2-12-7-8-13-10-6-4-3-5-9(10)11/h3-6,12H,2,7-8H2,1H3
• InChIKey: DFXRVNWDRHERJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-bromophenoxy)ethyl](ethyl)amine
• IUPAC Traditional name: [2-(2-bromophenoxy)ethyl](ethyl)amine
• Synonyms: [2-(2-bromophenoxy)ethyl]ethylamine hydrochloride

Database IDs

• CAS Number: 915920-58-0
• MDL Number: MFCD08069073

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.603773
• LogD (pH = 7.4): 0.4488281
• Log P: 2.5767317
• Molar Refractivity: 57.617 cm^3
• Polarizability: 22.640528 Å^3
• Polar Surface Area: 21.26 Å^2