[2-(2-bromophenoxy)ethyl]dimethylamine

• ChemBase ID: 247064
• Molecular Formular: C10H14BrNO
• Molecular Mass: 244.12826
• Monoisotopic Mass: 243.02587607
• SMILES: c1(c(OCCN(C)C)cccc1)Br
• Canonical SMILES: CN(CCOc1ccccc1Br)C
• InChI: InChI=1S/C10H14BrNO/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
• InChIKey: OUWAXRLVNYTZJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-bromophenoxy)ethyl]dimethylamine
• IUPAC Traditional name: [2-(2-bromophenoxy)ethyl]dimethylamine
• Synonyms: [2-(2-bromophenoxy)ethyl]dimethylamine

Database IDs

• CAS Number: 886851-37-2
• MDL Number: MFCD03719321
• PubChem SID: 164302974
• PubChem CID: 888311

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.43016812
• LogD (pH = 7.4): 1.2718366
• Log P: 2.6029718
• Molar Refractivity: 58.1631 cm^3
• Polarizability: 22.640528 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.933

Product Information

• Purity: 95%