Dimoxamine
PubChem CID
3037161
Structure
Molecular Formula
Synonyms
- Dimoxamine
- 52842-59-8
- DIMOXAMINE, (R)-
- (2R)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine
- 09426ZTO78
Molecular Weight
223.31 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-08
- Modify:2025-01-04
Chemical Structure Depiction
(2R)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C13H21NO2/c1-5-11(14)7-10-8-12(15-3)9(2)6-13(10)16-4/h6,8,11H,5,7,14H2,1-4H3/t11-/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
MLYCFWZIAJAIGW-LLVKDONJSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC[C@H](CC1=C(C=C(C(=C1)OC)C)OC)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H21NO2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 1-(4-methyl)-2,5-dimethoxyphenyl-2-aminobutane
- 2-amino-1-(2,5-dimethoxy-4-methylphenyl)butane
- BL 3912A
- BL-3912A
- dimoxamine
- dimoxamine hydrochloride
- dimoxamine hydrochloride, (+-)-isomer
- dimoxamine hydrochloride, (R)-isomer
- dimoxamine hydrochloride, (S)-isomer
- dimoxamine, (+-)-isomer
- dimoxamine, (S)-isomer
- MDPA-1
- Dimoxamine
- 52842-59-8
- DIMOXAMINE, (R)-
- (2R)-1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine
- 09426ZTO78
- Dimoxamin
- MDPA-1
- DTXSID30967314
- UNII-09426ZTO78
- SCHEMBL894999
- (R)-1-(2,5-Dimethoxy-4-methylphenyl)-2-butylamin
- CHEMBL433696
- r-2-amino-1-(2,5-dimethoxy-4-methylphenyl) butane
- Benzeneethanamine,a-ethyl-2,5-dimethoxy-4-methyl-,(ar)-
- (R)-.ALPHA.-ETHYL-2,5-DIMETHOXY-4-METHYLPHENETHYLAMINE
- Benzeneethanamine, alpha-ethyl-2,5-dimethoxy-4-methyl-, (R)-
- (.ALPHA.R)-.ALPHA.-ETHYL-2,5-DIMETHOXY-4-METHYLBENZENEETHANAMINE
- BENZENEETHANAMINE, .ALPHA.-ETHYL-2,5-DIMETHOXY-4-METHYL-, (R)-
- BENZENEETHANAMINE, .ALPHA.-ETHYL-2,5-DIMETHOXY-4-METHYL-, (.ALPHA.R)-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
223.31 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
2.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
223.157228913 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
223.157228913 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
44.5Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
198
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Hallucinogens
Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations, and other alterations of mood and thinking. Despite the name, the feature that distinguishes these agents from other classes of drugs is their capacity to induce states of altered perception, thought, and feeling that are not experienced otherwise. (See all compounds classified as Hallucinogens.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=MLYCFWZIAJAIGW-LLVKDONJSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/(αR)-α-Ethyl-2,5-dimethoxy-4-methylbenzeneethanaminehttps://commonchemistry.cas.org/detail?cas_rn=52842-59-8
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox(2R)-1-(2,5-Dimethoxy-4-methylphenyl)butan-2-aminehttps://comptox.epa.gov/dashboard/DTXSID30967314CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingDIMOXAMINE, (R)-https://gsrs.ncats.nih.gov/ginas/app/beta/substances/09426ZTO78
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlHallucinogenshttps://www.ncbi.nlm.nih.gov/mesh/68006213
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 392962107https://pubchem.ncbi.nlm.nih.gov/substance/392962107
- NCBI
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