[2-(3-bromophenoxy)ethyl]dimethylamine

• ChemBase ID: 262630
• Molecular Formular: C10H14BrNO
• Molecular Mass: 244.12826
• Monoisotopic Mass: 243.02587607
• SMILES: c1c(Br)cccc1OCCN(C)C
• Canonical SMILES: CN(CCOc1cccc(c1)Br)C
• InChI: InChI=1S/C10H14BrNO/c1-12(2)6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3
• InChIKey: ITRIRBFNZOUJEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-bromophenoxy)ethyl]dimethylamine
• IUPAC Traditional name: [2-(3-bromophenoxy)ethyl]dimethylamine
• Synonyms: [2-(3-bromophenoxy)ethyl]dimethylamine

Database IDs

• MDL Number: MFCD03993547
• PubChem SID: 164318540
• PubChem CID: 413371

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.4564808
• LogD (pH = 7.4): 1.2333552
• Log P: 2.6029718
• Molar Refractivity: 58.1631 cm^3
• Polarizability: 22.633434 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.163

Product Information

• Purity: 95%