Compound Identification
SMILES
C(CC1=CC=C(C=C1)C1=C(CC2=CC=C(OCCN3CCCC3)C=C2)C2=CC=CC=C2S1)NCC1=CN=CC=C1
InChIKey
InChIKey=NNEBENPFLKFYAA-UHFFFAOYSA-N
Formula
C35H37N3OS
Mass
547.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenethylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenethylamines
Alternative Parents
1-benzothiophenes Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers Pyridines and derivatives N-alkylpyrrolidines Thiophenes Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 1-benzothiophene - Phenethylamine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Pyridine - N-alkylpyrrolidine - Heteroaromatic compound - Thiophene - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
External Descriptors
Not available