(3-bromo-5-fluorophenyl)methanamine

• ChemBase ID: 261775
• Molecular Formular: C7H7BrFN
• Molecular Mass: 204.0395832
• Monoisotopic Mass: 202.97458945
• SMILES: c1c(cc(cc1Br)CN)F
• Canonical SMILES: NCc1cc(F)cc(c1)Br
• InChI: InChI=1S/C7H7BrFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2
• InChIKey: MMFJAHRSPCTHBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromo-5-fluorophenyl)methanamine
• IUPAC Traditional name: (3-bromo-5-fluorophenyl)methanamine
• Synonyms: (3-bromo-5-fluorophenyl)methanamine

Database IDs

• MDL Number: MFCD11619398
• PubChem SID: 164317685
• PubChem CID: 19360567

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9436644
• LogD (pH = 7.4): 0.19789642
• Log P: 2.0104687
• Molar Refractivity: 42.3706 cm^3
• Polarizability: 16.249517 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.1

Product Information

• Purity: 95%