Compound Identification
SMILES
NS(O)(=O)=O.COC1=C(OC)C=C(C=C1)C(CCCN(C)CCC1=CC(Cl)=C(Cl)C=C1)(C#N)C(C)C
InChIKey
InChIKey=JKBPIEFDTNVSAF-UHFFFAOYSA-N
Formula
C25H35Cl2N3O5S
Mass
560.53
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
Dimethoxybenzenes Phenylpropanes Phenethylamines Phenoxy compounds Dichlorobenzenes Anisoles Aralkylamines Alkyl aryl ethers Sulfuric acid monoamides Aryl chlorides Trialkylamines Nitriles Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylbutylamine - O-dimethoxybenzene - Dimethoxybenzene - Phenethylamine - Phenylpropane - 1,2-dichlorobenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Aryl halide - Aryl chloride - Sulfuric acid monoamide - Organic sulfuric acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Ether - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organochloride - 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