Structure Information
Structure

Compound Identification

SMILES

OC[C@@H]1CS[C@@](CCCN2C=CN=C2)(O1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=PUGSGGWWJBCEPB-HZPDHXFCSA-N

Formula

C16H19BrN2O2S

Mass

383.3

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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 - Bromobenzene - Halobenzene - Monothioketal - Aryl bromide - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Monothioacetal - Oxathiolane - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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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