2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol

C11H15NO — CID 12874855

IUPAC2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol
SMILESOCCC1Cc2ccccc2CN1
InChIInChI=1S/C11H15NO/c13-6-5-11-7-9-3-1-2-4-10(9)8-12-11/h1-4,11-13H,5-8H2
InChIKeyWKACBLSJQCIWIQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.08
Rot. Bonds2

About 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol

2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol (PubChem CID 12874855) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol
PubChem CID12874855
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol
SMILESOCCC1Cc2ccccc2CN1
InChIInChI=1S/C11H15NO/c13-6-5-11-7-9-3-1-2-4-10(9)8-12-11/h1-4,11-13H,5-8H2
InChIKeyWKACBLSJQCIWIQ-UHFFFAOYSA-N
XLogP1.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol?
The IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol (CID 12874855) is 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol?
The canonical SMILES for 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol is OCCC1Cc2ccccc2CN1.
What is the InChIKey of 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol?
The InChIKey is WKACBLSJQCIWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-6-5-11-7-9-3-1-2-4-10(9)8-12-11/h1-4,11-13H,5-8H2.
What are the key properties of 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol?
2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol has a molecular weight of 177.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanol is sourced from PubChem (CID 12874855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).