1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol

C12H19NO — CID 160650960

IUPAC1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol
SMILESCC1C2=CC=CCC2C(O)C(C)N1C
InChIInChI=1S/C12H19NO/c1-8-10-6-4-5-7-11(10)12(14)9(2)13(8)3/h4-6,8-9,11-12,14H,7H2,1-3H3
InChIKeyTZDBQFIMKJFCRA-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.57
Rot. Bonds

About 1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol

1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol (PubChem CID 160650960) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol
PubChem CID160650960
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol
SMILESCC1C2=CC=CCC2C(O)C(C)N1C
InChIInChI=1S/C12H19NO/c1-8-10-6-4-5-7-11(10)12(14)9(2)13(8)3/h4-6,8-9,11-12,14H,7H2,1-3H3
InChIKeyTZDBQFIMKJFCRA-UHFFFAOYSA-N
XLogP1.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-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 1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol?
The IUPAC name of 1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol (CID 160650960) is 1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol?
The canonical SMILES for 1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol is CC1C2=CC=CCC2C(O)C(C)N1C.
What is the InChIKey of 1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol?
The InChIKey is TZDBQFIMKJFCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-10-6-4-5-7-11(10)12(14)9(2)13(8)3/h4-6,8-9,11-12,14H,7H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol?
1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol has a molecular weight of 193.29 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 1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 160650960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).