Compound Identification
SMILES
COCC(=O)N[C@@H](CC1=CC(F)=CC(=C1)C1=NC=CS1)[C@H](O)CN[C@H]1CC2(CCC2)OC2=C1C=C(C=N2)[C@@H]1CC1(C)C
InChIKey
InChIKey=NOIZFDYRMGJFBM-YIPNQBBMSA-N
Formula
C32H39FN4O4S
Mass
594.75
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 Pyranopyridines Alkyl aryl ethers Aralkylamines Fluorobenzenes Aryl fluorides Pyridines and derivatives Heteroaromatic compounds Thiazoles 1,2-aminoalcohols Secondary alcohols Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Pyranopyridine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Organoheterocyclic compound - Azacycle - Secondary amine - Oxacycle - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Amine - Organonitrogen compound - Organooxygen 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