Compound Identification
SMILES
CC1C2CC3=CC(I)=C(O)C=C3C1(C)CCN2CC1=CC=CC=C1
InChIKey
InChIKey=QNODZGKKBDKGDM-UHFFFAOYSA-N
Formula
C21H24INO
Mass
433.333
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
6,7-benzomorphans
- Subclass 2,6-dimethyl-3-benzazocines
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Class
6,7-benzomorphans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
6,7-benzomorphans
Subclass
2,6-dimethyl-3-benzazocines
Intermediate Tree Nodes
Not available
Direct Parent
2,6-dimethyl-3-benzazocines
Alternative Parents
4-hydroxy-6,7-benzomorphans N-benzylpiperidines Benzazocines Tetralins Phenylmethylamines O-iodophenols Benzylamines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Aryl iodides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organoiodides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,6-dimethyl-3-benzazocine - 4-hydroxy-6,7-benzomorphan - N-benzylpiperidine - Benzylpiperidine - Benzazocine - Tetralin - Benzylamine - 2-iodophenol - Phenylmethylamine - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Piperidine - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,6-dimethyl-3-benzazocines. These are aromatic compounds containing a 6,7-benzomorphan skeleton, which is substituted by methyl group at the 2- and 6-positions.
External Descriptors
Not available