[2-(4-bromophenoxy)ethyl](ethyl)amine hydrochloride

• ChemBase ID: 282663
• Molecular Formular: C10H15BrClNO
• Molecular Mass: 280.5892
• Monoisotopic Mass: 279.00255379
• SMILES: c1(Br)ccc(cc1)OCCNCC.Cl
• Canonical SMILES: CCNCCOc1ccc(cc1)Br.Cl
• InChI: InChI=1S/C10H14BrNO.ClH/c1-2-12-7-8-13-10-5-3-9(11)4-6-10;/h3-6,12H,2,7-8H2,1H3;1H
• InChIKey: MFBXMWHGCHZIQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-bromophenoxy)ethyl](ethyl)amine hydrochloride
• IUPAC Traditional name: [2-(4-bromophenoxy)ethyl](ethyl)amine hydrochloride
• Synonyms: [2-(4-bromophenoxy)ethyl](ethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD08069310
• PubChem SID: 180668194
• PubChem CID: 6460203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6080804
• LogD (pH = 7.4): 0.41799012
• Log P: 2.5767317
• Molar Refractivity: 57.617 cm^3
• Polarizability: 22.633116 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): 3.099

Product Information

• Purity: 95%