Compound Identification
SMILES
CCC1=CC(CNC[C@H](O)[C@H](CC2=CC(F)=CC(F)=C2)NC(=O)C2=NNC3=C(C=CC=C3Cl)C2=O)=CC=C1
InChIKey
InChIKey=IKBVMFLNRAKBOO-ZEQRLZLVSA-N
Formula
C28H27ClF2N4O3
Mass
541.0
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 Cinnolines 2-heteroaryl carboxamides Benzylamines Phenylmethylamines Aralkylamines Fluorobenzenes Aryl chlorides Aryl fluorides Pyridazines and derivatives Vinylogous amides Heteroaromatic compounds Amino acids and derivatives 1,2-aminoalcohols Secondary alcohols Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organochlorides Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Cinnoline - 2-heteroaryl carboxamide - Benzylamine - Phenylmethylamine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyridazine - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary amine - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Organooxygen compound - Alcohol - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Amine - Organonitrogen compound - Aromatic heteropolycyclic 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