(z)-2-Methoxy-5-(3,4,5-trimethoxystyryl)aniline
PubChem CID
9796936
Structure
Molecular Formula
Synonyms
- (z)-2-methoxy-5-(3,4,5-trimethoxystyryl)aniline
- 162705-07-9
- AVE-8063
- AC-7739 free base
- CHEMBL330407
Molecular Weight
315.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2006-10-25
- Modify:2024-12-28
Chemical Structure Depiction
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C18H21NO4/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11H,19H2,1-4H3/b6-5-
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
QSAMWSFELUCKOA-WAYWQWQTSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)N
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C18H21NO4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
162705-07-9
- AVE-8063
- AVE8063
- (z)-2-methoxy-5-(3,4,5-trimethoxystyryl)aniline
- 162705-07-9
- AVE-8063
- AC-7739 free base
- CHEMBL330407
- (Z)-1-(3-Amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene
- Z41106YR00
- ST-3100
- 2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
- Benzenamine, 2-methoxy-5-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (Z)-
- Benzenamine, 2-methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-
- Benzenamine, 2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
- UNII-Z41106YR00
- MFCD00937446
- SCHEMBL291904
- QSAMWSFELUCKOA-WAYWQWQTSA-N
- BDBM50147362
- AKOS015851819
- BS-15878
- PD160003
- CS-0068343
- A11355
- Q27294963
- (Z)-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)vinyl]aniline
- 2-Methoxy-5-[(1Z)-2-(3,4,5-Trimethoxyphenyl)Ethenyl]-Benzenamine
- (Z)-1-(3 -amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl) ethene
- (Z)-1-(3-amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-ethene
- Benzenamine,2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
315.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3.4
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
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
315.14705815 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
315.14705815 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
62.9Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
362
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
0
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
1
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)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=QSAMWSFELUCKOA-WAYWQWQTSA-N
- 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.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- 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#linkingAC-7739 FREE BASEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z41106YR00
- Japan Chemical Substance Dictionary (Nikkaji)
- Wikidataac-7739 free basehttps://www.wikidata.org/wiki/Q27294963
- 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.html
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403799267https://pubchem.ncbi.nlm.nih.gov/substance/403799267
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