Compound Identification
SMILES
COC1=CC=C(NC2=NC(NN=CC3=CC=CC=C3Br)=NC(=N2)N2CCOCC2)C=C1
InChIKey
InChIKey=IHTNPHLRGIINRN-UHFFFAOYSA-N
Formula
C21H22BrN7O2
Mass
484.358
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Aniline and substituted anilines
- Level 5 Methoxyanilines
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Subclass
Aniline and substituted anilines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Methoxyanilines
Alternative Parents
1,3,5-triazine-2,4-diamines Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Bromobenzenes 1,3,5-triazines Morpholines Aryl bromides Heteroaromatic compounds Hydrazones Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methoxyaniline - Anisole - Phenoxy compound - 2,4-diamine-s-triazine - Phenol ether - Dialkylarylamine - Methoxybenzene - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Bromobenzene - Halobenzene - Triazine - Oxazinane - 1,3,5-triazine - Aryl bromide - Morpholine - Aryl halide - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrazone - Ether - Dialkyl ether - Organic oxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group.
External Descriptors
Not available