6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol

C9H12N2O — CID 84651923

IUPAC6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESNc1ccc2c(c1O)CCNC2
InChIInChI=1S/C9H12N2O/c10-8-2-1-6-5-11-4-3-7(6)9(8)12/h1-2,11-12H,3-5,10H2
InChIKeyFLRIAWXYLDFQAC-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.62
Rot. Bonds

About 6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol

6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol (PubChem CID 84651923) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol.

Molecular Properties

Compound Name6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol
PubChem CID84651923
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESNc1ccc2c(c1O)CCNC2
InChIInChI=1S/C9H12N2O/c10-8-2-1-6-5-11-4-3-7(6)9(8)12/h1-2,11-12H,3-5,10H2
InChIKeyFLRIAWXYLDFQAC-UHFFFAOYSA-N
XLogP0.62
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84691693
5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 84656591
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-5-ol;hydrochloride
CID 90411328
5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 84652626
5-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 59370482
6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine
CID 59862329
6-amino-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
CID 84656601
6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 53418628
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione
CID 10443331
5-chloro-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 71743943

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol?
The IUPAC name of 6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol (CID 84651923) is 6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol.
What is the SMILES notation for 6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol?
The canonical SMILES for 6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol is Nc1ccc2c(c1O)CCNC2.
What is the InChIKey of 6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol?
The InChIKey is FLRIAWXYLDFQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-2-1-6-5-11-4-3-7(6)9(8)12/h1-2,11-12H,3-5,10H2.
What are the key properties of 6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol?
6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol has a molecular weight of 164.21 g/mol, XLogP of 0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 84651923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).