1,2,3,4-tetrahydroisoquinolin-7-ylmethanol

C10H13NO — CID 10610870

IUPAC1,2,3,4-tetrahydroisoquinolin-7-ylmethanol
SMILESOCc1ccc2c(c1)CNCC2
InChIInChI=1S/C10H13NO/c12-7-8-1-2-9-3-4-11-6-10(9)5-8/h1-2,5,11-12H,3-4,6-7H2
InChIKeyRAUHFTOXJZRVIJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.82
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinolin-7-ylmethanol

1,2,3,4-tetrahydroisoquinolin-7-ylmethanol (PubChem CID 10610870) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-7-ylmethanol.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-7-ylmethanol
PubChem CID10610870
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1,2,3,4-tetrahydroisoquinolin-7-ylmethanol
SMILESOCc1ccc2c(c1)CNCC2
InChIInChI=1S/C10H13NO/c12-7-8-1-2-9-3-4-11-6-10(9)5-8/h1-2,5,11-12H,3-4,6-7H2
InChIKeyRAUHFTOXJZRVIJ-UHFFFAOYSA-N
XLogP0.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinolin-7-ylmethanol?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-7-ylmethanol (CID 10610870) is 1,2,3,4-tetrahydroisoquinolin-7-ylmethanol.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-7-ylmethanol?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-7-ylmethanol is OCc1ccc2c(c1)CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-7-ylmethanol?
The InChIKey is RAUHFTOXJZRVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-7-8-1-2-9-3-4-11-6-10(9)5-8/h1-2,5,11-12H,3-4,6-7H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-7-ylmethanol?
1,2,3,4-tetrahydroisoquinolin-7-ylmethanol has a molecular weight of 163.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinolin-7-ylmethanol is sourced from PubChem (CID 10610870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).