3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol

C10H13NO — CID 115063736

IUPAC3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESCC1Cc2c(O)cccc2CN1
InChIInChI=1S/C10H13NO/c1-7-5-9-8(6-11-7)3-2-4-10(9)12/h2-4,7,11-12H,5-6H2,1H3
InChIKeyVSXFCSYURSZOQV-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.43
Rot. Bonds

About 3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol

3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol (PubChem CID 115063736) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol.

Molecular Properties

Compound Name3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
PubChem CID115063736
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESCC1Cc2c(O)cccc2CN1
InChIInChI=1S/C10H13NO/c1-7-5-9-8(6-11-7)3-2-4-10(9)12/h2-4,7,11-12H,5-6H2,1H3
InChIKeyVSXFCSYURSZOQV-UHFFFAOYSA-N
XLogP1.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3,5-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 35700262
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 131036761
methyl 3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CID 130041121
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84718500
3-methyl-5-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 82583605
5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 63667541
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 130904182
3-methyl-3,4-dihydro-1H-isochromen-5-ol
CID 138550787
3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 130041063
N-(3-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82583078
3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 130041054
6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720667

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
The IUPAC name of 3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol (CID 115063736) is 3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol.
What is the SMILES notation for 3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
The canonical SMILES for 3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol is CC1Cc2c(O)cccc2CN1.
What is the InChIKey of 3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
The InChIKey is VSXFCSYURSZOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-9-8(6-11-7)3-2-4-10(9)12/h2-4,7,11-12H,5-6H2,1H3.
What are the key properties of 3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol?
3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol has a molecular weight of 163.22 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 115063736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).