2-({[2-(2,5-Dimethoxyphenyl)ethyl]amino}methyl)phenol
PubChem CID
71424713
Structure
Molecular Formula
Synonyms
- 919797-17-4
- 2-({[2-(2,5-Dimethoxyphenyl)ethyl]amino}methyl)phenol
- 2-[[2-(2,5-dimethoxyphenyl)ethylamino]methyl]phenol
- 25H-Nboh
- 25H-Nboh [NFLIS-DRUG]
Molecular Weight
287.35 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2013-05-22
- Modify:2025-01-18
Chemical Structure Depiction
2-[[2-(2,5-dimethoxyphenyl)ethylamino]methyl]phenol
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C17H21NO3/c1-20-15-7-8-17(21-2)13(11-15)9-10-18-12-14-5-3-4-6-16(14)19/h3-8,11,18-19H,9-10,12H2,1-2H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
GWSDQXKNRDQTTQ-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
COC1=CC(=C(C=C1)OC)CCNCC2=CC=CC=C2O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C17H21NO3
Computed by PubChem 2.1 (PubChem release 2019.06.18)
919797-17-4
- 919797-17-4
- 2-({[2-(2,5-Dimethoxyphenyl)ethyl]amino}methyl)phenol
- 2-[[2-(2,5-dimethoxyphenyl)ethylamino]methyl]phenol
- 25H-Nboh
- 25H-Nboh [NFLIS-DRUG]
- 7A5VW2R14B
- 2,5-Dimethoxy-(N-(2-hydroxybenzyl))phenethylamine
- 2-(((2-(2,5-Dimethoxyphenyl)ethyl)amino)methyl)phenol
- Phenol, 2-(((2-(2,5-dimethoxyphenyl)ethyl)amino)methyl)-
- UNII-7A5VW2R14B
- DTXSID10843506
- PD057606
- NS00067999
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
287.35 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
3.4
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
287.15214353 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
287.15214353 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
50.7 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
287
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
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 2019.01.04)
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
S58 | PSYCHOCANNAB | Synthetic Cannabinoids and Psychoactive Compounds | DOI:10.5281/zenodo.3247723
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 Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- ChemIDplus2,5-Dimethoxy-(N-(2-hydroxybenzyl))phenethylaminehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0919797174ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2-({[2-(2,5-Dimethoxyphenyl)ethyl]amino}methyl)phenolhttps://comptox.epa.gov/dashboard/DTXSID10843506CompTox 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#linking2,5-DIMETHOXY-(N-(2-HYDROXYBENZYL))PHENETHYLAMINEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/7A5VW2R14B
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/2-({[2-(2,5-Dimethoxyphenyl)ethyl]amino}methyl)phenolNORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Wikidata2-({[2-(2,5-Dimethoxyphenyl)ethyl]amino}methyl)phenolhttps://www.wikidata.org/wiki/Q82834111
- PubChem
- NCBI
CONTENTS