1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride

C10H14ClNO — CID 146082998

IUPAC1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride
SMILESCl.OCc1cccc2c1CNCC2
InChIInChI=1S/C10H13NO.ClH/c12-7-9-3-1-2-8-4-5-11-6-10(8)9;/h1-3,11-12H,4-7H2;1H
InChIKeyLPEVMBXOZPUEHQ-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.25
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride

1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride (PubChem CID 146082998) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride
PubChem CID146082998
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride
SMILESCl.OCc1cccc2c1CNCC2
InChIInChI=1S/C10H13NO.ClH/c12-7-9-3-1-2-8-4-5-11-6-10(8)9;/h1-3,11-12H,4-7H2;1H
InChIKeyLPEVMBXOZPUEHQ-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.25
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-8-ylmethanol;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride (CID 146082998) is 1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride is Cl.OCc1cccc2c1CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride?
The InChIKey is LPEVMBXOZPUEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c12-7-9-3-1-2-8-4-5-11-6-10(8)9;/h1-3,11-12H,4-7H2;1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride?
1,2,3,4-tetrahydroisoquinolin-8-ylmethanol;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.25, 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-8-ylmethanol;hydrochloride is sourced from PubChem (CID 146082998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).