[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine

• ChemBase ID: 799023
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: C(N)[C@H]1NC[C@H](C1)c1ccccc1
• Canonical SMILES: NC[C@H]1NC[C@H](C1)c1ccccc1
• InChI: InChI=1S/C11H16N2/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8,12H2/t10-,11-/m0/s1
• InChIKey: GZBRSIAGVAWGNO-QWRGUYRKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine
• IUPAC Traditional name: [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine
• Synonyms: ((2S,4R)-4-phenylpyrrolidin-2-yl)methanamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.0457935
• LogD (pH = 7.4): -2.2226532
• Log P: 0.9744791
• Molar Refractivity: 54.421 cm^3
• Polarizability: 21.82713 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%