2-amino-2-isoquinolin-5-ylethanol

C11H12N2O — CID 55271452

IUPAC2-amino-2-isoquinolin-5-ylethanol
SMILESNC(CO)c1cccc2cnccc12
InChIInChI=1S/C11H12N2O/c12-11(7-14)10-3-1-2-8-6-13-5-4-9(8)10/h1-6,11,14H,7,12H2
InChIKeyJUPIEUJXQWMLKQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.23
Rot. Bonds2

About 2-amino-2-isoquinolin-5-ylethanol

2-amino-2-isoquinolin-5-ylethanol (PubChem CID 55271452) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-2-isoquinolin-5-ylethanol.

Molecular Properties

Compound Name2-amino-2-isoquinolin-5-ylethanol
PubChem CID55271452
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-amino-2-isoquinolin-5-ylethanol
SMILESNC(CO)c1cccc2cnccc12
InChIInChI=1S/C11H12N2O/c12-11(7-14)10-3-1-2-8-6-13-5-4-9(8)10/h1-6,11,14H,7,12H2
InChIKeyJUPIEUJXQWMLKQ-UHFFFAOYSA-N
XLogP1.23
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
1-isoquinolin-5-yl-2-pyridin-3-ylethanamine
CID 62814184
1-isoquinolin-5-yl-2-propylsulfanylethanamine
CID 65128548
N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
CID 79086923
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine
CID 64560423
2-(4-bromophenyl)sulfanyl-1-isoquinolin-5-ylethanamine
CID 66055100
1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55119046
1-isoquinolin-5-yl-3-sulfanylpropane-1,2-diol
CID 170820096

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-isoquinolin-5-ylethanol?
The IUPAC name of 2-amino-2-isoquinolin-5-ylethanol (CID 55271452) is 2-amino-2-isoquinolin-5-ylethanol.
What is the SMILES notation for 2-amino-2-isoquinolin-5-ylethanol?
The canonical SMILES for 2-amino-2-isoquinolin-5-ylethanol is NC(CO)c1cccc2cnccc12.
What is the InChIKey of 2-amino-2-isoquinolin-5-ylethanol?
The InChIKey is JUPIEUJXQWMLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-11(7-14)10-3-1-2-8-6-13-5-4-9(8)10/h1-6,11,14H,7,12H2.
What are the key properties of 2-amino-2-isoquinolin-5-ylethanol?
2-amino-2-isoquinolin-5-ylethanol has a molecular weight of 188.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-isoquinolin-5-ylethanol is sourced from PubChem (CID 55271452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).