Compound Identification
SMILES
CC[C@H](C)[C@H](N)C(O)C(=O)[C@H](CC1=CC=CC=C1)NC[C@@H](N)CS
InChIKey
InChIKey=KBMAHSLZUPLUNR-XFPOCKHTSA-N
Formula
C18H31N3O2S
Mass
353.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenethylamines
- Level 5 Amphetamines and derivatives
-
Subclass
Phenethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Amphetamines and derivatives
Alternative Parents
Aralkylamines Monosaccharides Beta-amino ketones Acyloins Alpha-hydroxy ketones Alpha-amino ketones 1,3-aminoalcohols Secondary alcohols Dialkylamines Alkylthiols Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Amphetamine or derivatives - Aralkylamine - Acyloin - Beta-aminoketone - Monosaccharide - 1,3-aminoalcohol - Alpha-aminoketone - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Alkylthiol - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
External Descriptors
Not available