Structure Information
Structure

Compound Identification

SMILES

O[C@@H](CNCCC1=CC=C(C=C1)N=C(NC#N)NC1=CC(I)=CC=C1)C1=CN=CC=C1

InChIKey

InChIKey=DFKRMZGQHYWCSN-QFIPXVFZSA-N

Formula

C23H23IN6O

Mass

526.382

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenethylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenethylamines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenethylamine - Halobenzene - Iodobenzene - Aralkylamine - Aryl halide - Aryl iodide - Pyridine - Heteroaromatic compound - 1,2-aminoalcohol - Guanidine - Secondary alcohol - Secondary amine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Amine - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Alcohol - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic alcohol - Organooxygen compound - Aromatic heteromonocyclic 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

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