Compound Identification
SMILES
CC(C(CC1=CC=CC=C1Br)C(C)=O)C(C#N)N(C)C1=CC=CC=C1
InChIKey
InChIKey=VIXGFLIFUFPULG-UHFFFAOYSA-N
Formula
C21H23BrN2O
Mass
399.332
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
Dialkylarylamines Aniline and substituted anilines Bromobenzenes Aralkylamines Gamma-amino ketones Aryl bromides Alpha-aminonitriles Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbutylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Gamma-aminoketone - Alpha-aminonitrile - Tertiary amine - Ketone - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Cyanide - Organic oxide - 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