6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride

C11H17ClN2O — CID 90411328

IUPAC6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride
SMILESCN(C)c1ccc2c(c1O)CCNC2.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-13(2)10-4-3-8-7-12-6-5-9(8)11(10)14;/h3-4,12,14H,5-7H2,1-2H3;1H
InChIKeyVFAWQEBUMZIPRX-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.53
Rot. Bonds1

About 6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride

6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride (PubChem CID 90411328) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride.

Molecular Properties

Compound Name6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride
PubChem CID90411328
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride
SMILESCN(C)c1ccc2c(c1O)CCNC2.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-13(2)10-4-3-8-7-12-6-5-9(8)11(10)14;/h3-4,12,14H,5-7H2,1-2H3;1H
InChIKeyVFAWQEBUMZIPRX-UHFFFAOYSA-N
XLogP1.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride?
The IUPAC name of 6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride (CID 90411328) is 6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride.
What is the SMILES notation for 6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride?
The canonical SMILES for 6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride is CN(C)c1ccc2c(c1O)CCNC2.Cl.
What is the InChIKey of 6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride?
The InChIKey is VFAWQEBUMZIPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-13(2)10-4-3-8-7-12-6-5-9(8)11(10)14;/h3-4,12,14H,5-7H2,1-2H3;1H.
What are the key properties of 6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride?
6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride is sourced from PubChem (CID 90411328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).