Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@H](CCN1C1=C(C)C(Cl)=C(C=C1)C#N)C(C)(C)O

InChIKey

InChIKey=YYHAWTJRPKQFSM-AAEUAGOBSA-N

Formula

C16H21ClN2O

Mass

292.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Phenylpyrrolidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolidines

Alternative Parents

Dialkylarylamines Benzonitriles Aniline and substituted anilines Aminotoluenes Chlorobenzenes Aryl chlorides Tertiary alcohols Pyrroles 1,3-aminoalcohols Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylpyrrolidine - Benzonitrile - Tertiary aliphatic/aromatic amine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Tertiary alcohol - 1,3-aminoalcohol - Tertiary amine - Azacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

External Descriptors

Not available

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