{2-[(6-bromonaphthalen-2-yl)oxy]ethyl}(ethyl)amine hydrochloride

• ChemBase ID: 264174
• Molecular Formular: C14H17BrClNO
• Molecular Mass: 330.64788
• Monoisotopic Mass: 329.01820385
• SMILES: c12c(cc(cc2)OCCNCC)ccc(c1)Br.Cl
• Canonical SMILES: CCNCCOc1ccc2c(c1)ccc(c2)Br.Cl
• InChI: InChI=1S/C14H16BrNO.ClH/c1-2-16-7-8-17-14-6-4-11-9-13(15)5-3-12(11)10-14;/h3-6,9-10,16H,2,7-8H2,1H3;1H
• InChIKey: MLLGPFOUYJLGHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(6-bromonaphthalen-2-yl)oxy]ethyl}(ethyl)amine hydrochloride
• IUPAC Traditional name: {2-[(6-bromonaphthalen-2-yl)oxy]ethyl}(ethyl)amine hydrochloride
• Synonyms: {2-[(6-bromonaphthalen-2-yl)oxy]ethyl}(ethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD13196270
• PubChem SID: 164320084
• PubChem CID: 45792507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.38183722
• LogD (pH = 7.4): 1.4107124
• Log P: 3.5662084
• Molar Refractivity: 74.0672 cm^3
• Polarizability: 30.046925 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 269 - 271°C
• Hydrophobicity(logP): 4.238

Product Information

• Purity: 95%