2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol

C10H15NO — CID 167317667

IUPAC2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol
SMILESCN1CCC2C=CC=C(O)C2C1
InChIInChI=1S/C10H15NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h2-4,8-9,12H,5-7H2,1H3
InChIKeyBURHRAQYSIMDCV-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.57
Rot. Bonds

About 2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol

2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol (PubChem CID 167317667) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol.

Molecular Properties

Compound Name2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol
PubChem CID167317667
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol
SMILESCN1CCC2C=CC=C(O)C2C1
InChIInChI=1S/C10H15NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h2-4,8-9,12H,5-7H2,1H3
InChIKeyBURHRAQYSIMDCV-UHFFFAOYSA-N
XLogP1.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol?
The IUPAC name of 2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol (CID 167317667) is 2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol.
What is the SMILES notation for 2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol?
The canonical SMILES for 2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol is CN1CCC2C=CC=C(O)C2C1.
What is the InChIKey of 2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol?
The InChIKey is BURHRAQYSIMDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h2-4,8-9,12H,5-7H2,1H3.
What are the key properties of 2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol?
2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol has a molecular weight of 165.24 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-8-ol is sourced from PubChem (CID 167317667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).