Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC=CC=C1OC[C@H](O)CN1CC[NH+](C[C@@H]2CCCO2)CC1

InChIKey

InChIKey=NIAPNSAWYBGWMH-MOPGFXCFSA-O

Formula

C21H35N2O3

Mass

363.521

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Cumenes

Intermediate Tree Nodes

Not available

Direct Parent

Cumenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Quaternary ammonium salt - Oxolane - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.

External Descriptors

Not available

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