Compound Identification
SMILES
COC1=CC=CC(CNCC(O)C(CC2=CC(F)=CC(F)=C2)NC2=NC(OC)=NC(OC)=N2)=C1
InChIKey
InChIKey=VTWNURRTGKPYKZ-UHFFFAOYSA-N
Formula
C23H27F2N5O4
Mass
475.497
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
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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
Amphetamines and derivatives 2-methoxy-1,3,5-triazines Phenylmethylamines Phenoxy compounds Anisoles Benzylamines Methoxybenzenes Alkyl aryl ethers Aralkylamines N-aliphatic s-triazines Fluorobenzenes Aryl fluorides Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Dialkylamines Organofluorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Anisole - Benzylamine - Phenol ether - Phenoxy compound - Phenylmethylamine - Methoxybenzene - Alkoxy-s-triazine - 2-methoxy-1,3,5-triazine - Aminotriazine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Amino-1,3,5-triazine - N-aliphatic s-triazine - Aralkylamine - 1,3,5-triazine - Triazine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Amine - 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