Compound Identification
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)C[C@@H](CC1=CC=C(OCCN2CCCC2)C=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12
InChIKey
InChIKey=KDBIGCDEYFYFCH-AIIVFDHXSA-N
Formula
C39H51N3O6
Mass
657.852
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
Indanes Phenoxy compounds Phenol ethers Alkyl aryl ethers N-alkylpyrrolidines N-acyl amines Carbamate esters Trialkylamines Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amphetamine or derivatives - Indane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty amide - N-acyl-amine - N-alkylpyrrolidine - Fatty acyl - Carbamic acid ester - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Alcohol - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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