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
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
Monothioketals Bromobenzenes N-substituted imidazoles Aryl bromides Oxathiolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organobromides Hydrocarbon derivatives
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