2-hydroxyethylazanium chloride

C2H8ClNO — CID 53429551

IUPAC2-hydroxyethylazanium chloride
SMILES[Cl-].[NH3+]CCO
InChIInChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H
InChIKeyPMUNIMVZCACZBB-UHFFFAOYSA-N
MW97.55 g/mol
LogP-4.78
Rot. Bonds1

About 2-hydroxyethylazanium chloride

2-hydroxyethylazanium chloride (PubChem CID 53429551) has the molecular formula C2H8ClNO and a molecular weight of 97.55 g/mol. Its IUPAC name is 2-hydroxyethylazanium chloride.

Molecular Properties

Compound Name2-hydroxyethylazanium chloride
PubChem CID53429551
Molecular FormulaC2H8ClNO
Molecular Weight97.55 g/mol
Exact Mass97.03
IUPAC Name2-hydroxyethylazanium chloride
SMILES[Cl-].[NH3+]CCO
InChIInChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H
InChIKeyPMUNIMVZCACZBB-UHFFFAOYSA-N
XLogP-4.78
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.55
LogP ≤ 5-4.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-hydroxyethylazanium chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylazanium chloride?
The IUPAC name of 2-hydroxyethylazanium chloride (CID 53429551) is 2-hydroxyethylazanium chloride.
What is the SMILES notation for 2-hydroxyethylazanium chloride?
The canonical SMILES for 2-hydroxyethylazanium chloride is [Cl-].[NH3+]CCO.
What is the InChIKey of 2-hydroxyethylazanium chloride?
The InChIKey is PMUNIMVZCACZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H.
What are the key properties of 2-hydroxyethylazanium chloride?
2-hydroxyethylazanium chloride has a molecular weight of 97.55 g/mol, XLogP of -4.78, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethylazanium chloride is sourced from PubChem (CID 53429551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).