(1R)-1-[4-(4-bromophenyl)phenyl]ethan-1-amine

• ChemBase ID: 280643
• Molecular Formular: C14H14BrN
• Molecular Mass: 276.17166
• Monoisotopic Mass: 275.03096145
• SMILES: c1(c2ccc(cc2)Br)ccc(cc1)[C@H](N)C
• Canonical SMILES: Brc1ccc(cc1)c1ccc(cc1)[C@H](N)C
• InChI: InChI=1S/C14H14BrN/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-10H,16H2,1H3/t10-/m1/s1
• InChIKey: DAQQGBQJTPYBGR-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-[4-(4-bromophenyl)phenyl]ethan-1-amine
• IUPAC Traditional name: (1R)-1-[4-(4-bromophenyl)phenyl]ethanamine
• Synonyms: (1R)-1-(4'-bromo-1,1'-biphenyl-4-yl)ethanamine

Database IDs

• MDL Number: MFCD06762241
• PubChem SID: 180666174
• PubChem CID: 25324340

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9265486
• LogD (pH = 7.4): 1.6966482
• Log P: 3.9315672
• Molar Refractivity: 71.7092 cm^3
• Polarizability: 29.11726 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.154

Product Information

• Purity: 95%