Compound Identification
SMILES
CCC1=CC(CNC[C@H](O)[C@H](CC2=CC(F)=CC(F)=C2)NC(=O)C2=CSC(=N2)C2=CC3=C(OCC3)C=C2)=CC=C1
InChIKey
InChIKey=FNIALVVOCZBVIC-XCZPVHLTSA-N
Formula
C31H31F2N3O3S
Mass
563.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
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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 Coumarans Thiazolecarboxamides Phenylmethylamines 2-heteroaryl carboxamides Benzylamines 2,4-disubstituted thiazoles Alkyl aryl ethers Fluorobenzenes Aralkylamines Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Coumaran - 2-heteroaryl carboxamide - Benzylamine - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - Phenylmethylamine - Halobenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Fluorobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Thiazole - Azole - Amino acid or derivatives - 1,2-aminoalcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Organohalogen 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