(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine

• ChemBase ID: 287021
• Molecular Formular: C14H20N2
• Molecular Mass: 216.322
• Monoisotopic Mass: 216.16264865
• SMILES: NC1C[C@H]2N(Cc3ccccc3)[C@H](CC2)C1
• Canonical SMILES: NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1
• InChI: InChI=1S/C14H20N2/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t12?,13-,14+
• InChIKey: TZWXPIKAEAYGPF-AGUYFDCRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
• IUPAC Traditional name: (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
• Synonyms: (1R,5S)-endo-8-Benzyl-8-azabicyclo[3.2.1]octan-3-amine

Database IDs

• CAS Number: 76272-35-0
• PubChem SID: 180672552
• PubChem CID: 11031267

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.4241085
• LogD (pH = 7.4): -2.4404387
• Log P: 1.651152
• Molar Refractivity: 66.8639 cm^3
• Polarizability: 26.704157 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%