[1-(4-bromophenyl)ethyl]dimethylamine hydrochloride

• ChemBase ID: 34395
• Molecular Formular: C10H15BrClN
• Molecular Mass: 264.5898
• Monoisotopic Mass: 263.00763917
• SMILES: C(c1ccc(cc1)Br)(N(C)C)C.Cl
• Canonical SMILES: CC(c1ccc(cc1)Br)N(C)C.Cl
• InChI: InChI=1S/C10H14BrN.ClH/c1-8(12(2)3)9-4-6-10(11)7-5-9;/h4-8H,1-3H3;1H
• InChIKey: VYYLSXRJBFJHIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-bromophenyl)ethyl]dimethylamine hydrochloride
• IUPAC Traditional name: [1-(4-bromophenyl)ethyl]dimethylamine hydrochloride
• Synonyms: N-[1-(4-Bromophenyl)ethyl]-N,N-dimethylamine hydrochloride

Database IDs

• MDL Number: MFCD12027060
• PubChem SID: 160997702
• PubChem CID: 24190701

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.14030002
• LogD (pH = 7.4): 1.412671
• Log P: 3.0999703
• Molar Refractivity: 56.6423 cm^3
• Polarizability: 21.90621 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false