Compound Identification
SMILES
COC1=CC=CC=C1SC(C)(CCC1=CC=C(Cl)C=C1)CN1C=CN=C1
InChIKey
InChIKey=XBKIHMQIPOIKRA-UHFFFAOYSA-N
Formula
C21H23ClN2OS
Mass
386.94
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
Thiophenol ethers Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkylarylthioethers Alkyl aryl ethers N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Thiophenol ether - Alkyl aryl ether - Halobenzene - Alkylarylthioether - Chlorobenzene - N-substituted imidazole - Aryl chloride - Aryl halide - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Ether - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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