(2S)-2-amino-2-isoquinolin-4-ylethanol

C11H12N2O — CID 55262875

IUPAC(2S)-2-amino-2-isoquinolin-4-ylethanol
SMILESN[C@H](CO)c1cncc2ccccc12
InChIInChI=1S/C11H12N2O/c12-11(7-14)10-6-13-5-8-3-1-2-4-9(8)10/h1-6,11,14H,7,12H2/t11-/m1/s1
InChIKeyZBRUDVPCYLIRCK-LLVKDONJSA-N
MW188.23 g/mol
LogP1.23
Rot. Bonds2

About (2S)-2-amino-2-isoquinolin-4-ylethanol

(2S)-2-amino-2-isoquinolin-4-ylethanol (PubChem CID 55262875) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-amino-2-isoquinolin-4-ylethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-isoquinolin-4-ylethanol
PubChem CID55262875
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(2S)-2-amino-2-isoquinolin-4-ylethanol
SMILESN[C@H](CO)c1cncc2ccccc12
InChIInChI=1S/C11H12N2O/c12-11(7-14)10-6-13-5-8-3-1-2-4-9(8)10/h1-6,11,14H,7,12H2/t11-/m1/s1
InChIKeyZBRUDVPCYLIRCK-LLVKDONJSA-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

Analyze (2S)-2-amino-2-isoquinolin-4-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-isoquinolin-5-ylethanol
CID 55271452
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
CID 63940367
2-ethylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65128258
methyl 3-amino-3-isoquinolin-4-ylpropanoate
CID 104504325
1-isoquinolin-4-ylnonan-1-amine
CID 115856304
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
3-(2,2-difluoroethoxy)-1-isoquinolin-4-ylpropan-1-amine
CID 103149098
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292
2-amino-2-phenanthren-9-ylethanol
CID 77130155
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine
CID 63939977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-isoquinolin-4-ylethanol?
The IUPAC name of (2S)-2-amino-2-isoquinolin-4-ylethanol (CID 55262875) is (2S)-2-amino-2-isoquinolin-4-ylethanol.
What is the SMILES notation for (2S)-2-amino-2-isoquinolin-4-ylethanol?
The canonical SMILES for (2S)-2-amino-2-isoquinolin-4-ylethanol is N[C@H](CO)c1cncc2ccccc12.
What is the InChIKey of (2S)-2-amino-2-isoquinolin-4-ylethanol?
The InChIKey is ZBRUDVPCYLIRCK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12N2O/c12-11(7-14)10-6-13-5-8-3-1-2-4-9(8)10/h1-6,11,14H,7,12H2/t11-/m1/s1.
What are the key properties of (2S)-2-amino-2-isoquinolin-4-ylethanol?
(2S)-2-amino-2-isoquinolin-4-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 (2S)-2-amino-2-isoquinolin-4-ylethanol is sourced from PubChem (CID 55262875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).