(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol

C10H13NO — CID 96972246

IUPAC(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESC[C@@H]1NCCc2cccc(O)c21
InChIInChI=1S/C10H13NO/c1-7-10-8(5-6-11-7)3-2-4-9(10)12/h2-4,7,11-12H,5-6H2,1H3/t7-/m0/s1
InChIKeyCZYLNIBOLRJVSQ-ZETCQYMHSA-N
MW163.22 g/mol
LogP1.60
Rot. Bonds

About (1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol

(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 96972246) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID96972246
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESC[C@@H]1NCCc2cccc(O)c21
InChIInChI=1S/C10H13NO/c1-7-10-8(5-6-11-7)3-2-4-9(10)12/h2-4,7,11-12H,5-6H2,1H3/t7-/m0/s1
InChIKeyCZYLNIBOLRJVSQ-ZETCQYMHSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze (1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 174954267
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 121229284
1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 84656928
1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 83358351
7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 84657899
1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 83358374
(1R)-1-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
CID 130715072
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745
8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 66876135
8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 84702415
1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 66876100
7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83370908

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of (1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 96972246) is (1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for (1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for (1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol is C[C@@H]1NCCc2cccc(O)c21.
What is the InChIKey of (1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is CZYLNIBOLRJVSQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-10-8(5-6-11-7)3-2-4-9(10)12/h2-4,7,11-12H,5-6H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 163.22 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 96972246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).