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Desmethyl-8-bromo Dragonfly Hydrochloride - ≥98%, high purity , CAS No.178557-21-6
Basic Description
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenethylamines
Alternative Parents
Coumarans 2-arylethylamines Aralkylamines Alkyl aryl ethers Aryl bromides Oxacyclic compounds Organobromides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaran - Phenethylamine - 2-arylethylamine - Alkyl aryl ether - Aralkylamine - Aryl bromide - Aryl halide - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Primary amine - Aromatic heteropolycyclic 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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine
INCHI
InChI=1S/C12H14BrNO2/c13-10-9-3-6-15-11(9)7(1-4-14)8-2-5-16-12(8)10/h1-6,14H2
InChIKey
YZDFADGMVOSVIX-UHFFFAOYSA-N
Smiles
C1COC2=C(C3=C(C(=C21)CCN)OCC3)Br
Isomeric SMILES
C1COC2=C(C3=C(C(=C21)CCN)OCC3)Br
PubChem CID
10265873
Molecular Weight
320.61
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
284.150 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
283.021 Da
Monoisotopic Mass
283.021 Da
Topological Polar Surface Area
44.500 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
263.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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