2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol

C13H19NO — CID 25210789

IUPAC2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
SMILESCC(C)(O)CC1CCc2ccccc2N1
InChIInChI=1S/C13H19NO/c1-13(2,15)9-11-8-7-10-5-3-4-6-12(10)14-11/h3-6,11,14-15H,7-9H2,1-2H3
InChIKeyUXFLCJFXSJEMDX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.57
Rot. Bonds2

About 2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol

2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol (PubChem CID 25210789) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
PubChem CID25210789
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
SMILESCC(C)(O)CC1CCc2ccccc2N1
InChIInChI=1S/C13H19NO/c1-13(2,15)9-11-8-7-10-5-3-4-6-12(10)14-11/h3-6,11,14-15H,7-9H2,1-2H3
InChIKeyUXFLCJFXSJEMDX-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-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-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol (CID 25210789) is 2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol is CC(C)(O)CC1CCc2ccccc2N1.
What is the InChIKey of 2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol?
The InChIKey is UXFLCJFXSJEMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,15)9-11-8-7-10-5-3-4-6-12(10)14-11/h3-6,11,14-15H,7-9H2,1-2H3.
What are the key properties of 2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol?
2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 25210789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).