(2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
PubChem CID
589740
Structure
Molecular Formula
Synonyms
- (2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
- 16880-87-8
- (2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
- DTXSID20343441
- SCHEMBL6651633
Molecular Weight
177.24 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-27
- Modify:2025-01-11
Chemical Structure Depiction
SVG Image
IUPAC Condensed
Me-DL-Tic-ol
Sequence
X
HELM
PEPTIDE1{[CN1Cc2ccccc2CC1CO]}$$$$
IUPAC
N-methyl-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol
(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C11H15NO/c1-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2-5,11,13H,6-8H2,1H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
SWUVPLABKHJMQA-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CN1CC2=CC=CC=C2CC1CO
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H15NO
Computed by PubChem 2.2 (PubChem release 2024.11.20)
16880-87-8
- (2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
- 16880-87-8
- (2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
- DTXSID20343441
- SCHEMBL6651633
- DTXCID20294520
- AKOS006334782
- CS-0241800
- EN300-238227
- 2-methyl-1,2,3,4-tetrahydro-3-isoquinolinemethanol
- 2-methyl -1,2,3,4-tetrahydro-3-isoquinolinemethanol
- 1,2,3,4-Tetrahydro-3-hydroxymethyl-2-methylisoquinoline
- F2167-0188
- (2-Methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methanol #
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
177.24 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
1.2
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
177.115364102 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
177.115364102 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
23.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
171
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
1
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 2010.01.29)
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
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=SWUVPLABKHJMQA-UHFFFAOYSA-N
- EPA DSSTox(2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanolhttps://comptox.epa.gov/dashboard/DTXSID20343441
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law1,2,3,4-Tetrahydro-3-hydroxymethyl-2-methylisoquinolinehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase(2-Methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methanolhttps://spectrabase.com/spectrum/18maEROd0Oa
- Wikidata(2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanolhttps://www.wikidata.org/wiki/Q82114754
- PubChem
- PATENTSCOPE (WIPO)SID 388710738https://pubchem.ncbi.nlm.nih.gov/substance/388710738
CONTENTS