(2S,4R)-2-(bromomethyl)-4-phenylpyrrolidine

• ChemBase ID: 799022
• Molecular Formular: C11H14BrN
• Molecular Mass: 240.13956
• Monoisotopic Mass: 239.03096145
• SMILES: N1[C@@H](C[C@@H](C1)c1ccccc1)CBr
• Canonical SMILES: BrC[C@H]1NC[C@H](C1)c1ccccc1
• InChI: InChI=1S/C11H14BrN/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11-/m0/s1
• InChIKey: PVJWANBXJAPRBM-QWRGUYRKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,4R)-2-(bromomethyl)-4-phenylpyrrolidine
• IUPAC Traditional name: (2S,4R)-2-(bromomethyl)-4-phenylpyrrolidine
• Synonyms: (2S,4R)-2-(bromomethyl)-4-phenylpyrrolidine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.59247005
• LogD (pH = 7.4): 0.17836727
• Log P: 2.621448
• Molar Refractivity: 58.798 cm^3
• Polarizability: 22.856857 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%