Compound Identification
SMILES
CC1=CC(Br)=CC(Cl)=C1CCCCNCCSS(O)(=O)=O
InChIKey
InChIKey=QYYNAXXWKWESCM-UHFFFAOYSA-N
Formula
C13H19BrClNO3S2
Mass
416.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Toluenes Chlorobenzenes Bromobenzenes Aralkylamines S-alkyl thiosulfates Aryl chlorides Aryl bromides Sulfenyl compounds Dialkylamines Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbutylamine - Bromobenzene - Chlorobenzene - Halobenzene - Aralkylamine - Toluene - Aryl bromide - Aryl chloride - Aryl halide - S-alkyl thiosulfate - Secondary aliphatic amine - Secondary amine - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic 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