1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol

C12H17NO — CID 583448

IUPAC1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol
SMILESCCC(O)C1NCCc2ccccc21
InChIInChI=1S/C12H17NO/c1-2-11(14)12-10-6-4-3-5-9(10)7-8-13-12/h3-6,11-14H,2,7-8H2,1H3
InChIKeyUJXQBWOJAQEWLF-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.64
Rot. Bonds2

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

1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol (PubChem CID 583448) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol
PubChem CID583448
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol
SMILESCCC(O)C1NCCc2ccccc21
InChIInChI=1S/C12H17NO/c1-2-11(14)12-10-6-4-3-5-9(10)7-8-13-12/h3-6,11-14H,2,7-8H2,1H3
InChIKeyUJXQBWOJAQEWLF-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-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-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol?
The IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol (CID 583448) is 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol?
The canonical SMILES for 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol is CCC(O)C1NCCc2ccccc21.
What is the InChIKey of 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol?
The InChIKey is UJXQBWOJAQEWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-11(14)12-10-6-4-3-5-9(10)7-8-13-12/h3-6,11-14H,2,7-8H2,1H3.
What are the key properties of 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol?
1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol is sourced from PubChem (CID 583448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).