2-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride

• ChemBase ID: 241199
• Molecular Formular: C8H10BrCl2N
• Molecular Mass: 270.9817
• Monoisotopic Mass: 268.93736669
• SMILES: c1(c(ccc(c1)Cl)Br)CCN.Cl
• Canonical SMILES: NCCc1cc(Cl)ccc1Br.Cl
• InChI: InChI=1S/C8H9BrClN.ClH/c9-8-2-1-7(10)5-6(8)3-4-11;/h1-2,5H,3-4,11H2;1H
• InChIKey: PXDTVVAKCHQPID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2-bromo-5-chlorophenyl)ethanamine hydrochloride
• Synonyms: 2-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22421830
• PubChem SID: 164297109
• PubChem CID: 71756730

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2438884
• LogD (pH = 7.4): 0.53425366
• Log P: 2.7604728
• Molar Refractivity: 51.714 cm^3
• Polarizability: 20.132591 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.009

Product Information

• Purity: 95%