Compound Identification
SMILES
CCC1=CC(CNC[C@@H](O)[C@H](CC2=CC(F)=CC(F)=C2)NC(=O)COCC2=NC3=CC=CC=C3S2)=CC=C1
InChIKey
InChIKey=GMPWWTOWOQKCKE-IZZNHLLZSA-N
Formula
C29H31F2N3O3S
Mass
539.64
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 Benzothiazoles Phenylmethylamines Benzylamines Fluorobenzenes Aralkylamines Aryl fluorides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - 1,3-benzothiazole - Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Thiazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Amino acid or derivatives - Secondary alcohol - Carboxamide group - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organofluoride - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Alcohol - 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