CAS 1114824-04-2

2-(Phenylmethyl)-2-azabicyclo[2.2.2]octane-1-carbonitrile

Description:

2-(Phenylmethyl)-2-azabicyclo[2.2.2]octane-1-carbonitrile, identified by its CAS number 1114824-04-2, is a bicyclic compound featuring a nitrogen atom within its structure, which classifies it as a bicyclic amine. The compound consists of a bicyclo[2.2.2]octane framework, which is characterized by its three interconnected carbon rings, providing a rigid and compact structure. The presence of a phenylmethyl group contributes to its aromatic characteristics, potentially influencing its reactivity and interaction with biological systems. The carbonitrile functional group (-C≡N) indicates the presence of a nitrile, which can impart unique chemical properties, such as polarity and the ability to participate in nucleophilic reactions. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry. Its specific characteristics, such as solubility, melting point, and reactivity, would depend on the molecular interactions and the environment in which it is studied. Overall, this compound represents a unique structure with potential applications in various fields, including drug development and organic synthesis.

Formula: C₁₅H₁₈N₂

InChI: InChI=1S/C15H18N2/c16-12-15-8-6-14(7-9-15)11-17(15)10-13-4-2-1-3-5-13/h1-5,14H,6-11H2

InChI key: InChIKey=UHQJVTVZMQQYNF-UHFFFAOYSA-N

SMILES: C(#N)C12N(CC3=CC=CC=C3)CC(CC1)CC2

Synonyms:

• 2-Benzyl-2-azabicyclo[2.2.2]octane-1-carbonitrile
• 2-Azabicyclo[2.2.2]octane-1-carbonitrile, 2-(phenylmethyl)-
• 2-(Phenylmethyl)-2-azabicyclo[2.2.2]octane-1-carbonitrile