Compound Identification
SMILES
CC(C)(C)N([C@@H](CC1=CC(F)=CC(F)=C1)[C@H](O)CNC1(CC1)C1=CC=CC(=C1)C#C)C([O-])=O
InChIKey
InChIKey=VIDHPNATGLZCOC-XZOQPEGZSA-M
Formula
C26H29F2N2O3
Mass
455.526
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 Fluorobenzenes Aralkylamines Aryl fluorides Secondary alcohols Carbamic acids 1,2-aminoalcohols Dialkylamines Acetylides Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,2-aminoalcohol - Carbamic acid - Carbamic acid derivative - Secondary alcohol - Acetylide - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Amine - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic anion - 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