Compound Identification
SMILES
Cl.COC1=CC=C(CCCCN[C@H]2CO[C@@H]3[C@H](CO[C@H]23)O[N+]([O-])=O)C=C1
InChIKey
InChIKey=YHDKSMNSAVBUOE-LOPIXSETSA-N
Formula
C17H25ClN2O6
Mass
388.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
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
Phenoxy compounds Anisoles Methoxybenzenes Furofurans Alkyl aryl ethers Aralkylamines Oxolanes Alkyl nitrates Organic nitro compounds Organic nitric acids and derivatives Oxacyclic compounds Dialkyl ethers Dialkylamines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Phenoxy compound - Anisole - Furofuran - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Organic nitrate - Oxolane - Alkyl nitrate - Organic nitro compound - Organic nitric acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Secondary amine - Secondary aliphatic amine - Ether - Organic salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organic cation - Aromatic heteropolycyclic 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