Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CCCN1CCN(CC2=C(F)C=CC=C2Cl)CC1)(C(C)C)C1=CC=C(Br)C=C1

InChIKey

InChIKey=GDOXQTWLLNAISZ-UHFFFAOYSA-N

Formula

C26H33BrClFN2O2

Mass

539.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylbutylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylbutylamines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylbutylamine - Phenylpropane - Phenylmethylamine - Benzylamine - Chlorobenzene - Bromobenzene - Halobenzene - Fatty acid ester - Fluorobenzene - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Aryl bromide - Aryl chloride - Aryl fluoride - Piperazine - Fatty acyl - Aryl halide - Methyl ester - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organochloride - Organobromide - Organohalogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.

External Descriptors

Not available

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