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

• ChemBase ID: 284205
• Molecular Formular: C15H19BrClNO
• Molecular Mass: 344.67446
• Monoisotopic Mass: 343.03385391
• SMILES: c12c(cc(cc2)OCCNC(C)C)ccc(c1)Br.Cl
• Canonical SMILES: CC(NCCOc1ccc2c(c1)ccc(c2)Br)C.Cl
• InChI: InChI=1S/C15H18BrNO.ClH/c1-11(2)17-7-8-18-15-6-4-12-9-14(16)5-3-13(12)10-15;/h3-6,9-11,17H,7-8H2,1-2H3;1H
• InChIKey: KSYJWMXIMCLCJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20502098
• PubChem SID: 180669736
• PubChem CID: 54595906

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7885686
• LogD (pH = 7.4): 1.7491572
• Log P: 3.9827836
• Molar Refractivity: 78.486 cm^3
• Polarizability: 31.885727 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): 4.547

Product Information

• Purity: 95%