Compound Identification
SMILES
COC1=CC=CC(CNC[C@@H](O)[C@H](CC2=CC=CC=C2)NC(=O)OCC#C)=C1
InChIKey
InChIKey=WAJONQOTCCCBKP-LEWJYISDSA-N
Formula
C22H26N2O4
Mass
382.46
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
Amphetamines and derivatives Phenylmethylamines Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Alkyl aryl ethers Aralkylamines Carbamate esters Secondary alcohols 1,2-aminoalcohols Acetylides Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Carbamic acid ester - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Acetylide - Secondary aliphatic amine - Ether - Alcohol - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - 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