2-(2-hydroxyethylamino)ethanol

C4H11NO2 — CID 8113

IUPAC2-(2-hydroxyethylamino)ethanol
SMILESOCCNCCO
InChIInChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChIKeyZBCBWPMODOFKDW-UHFFFAOYSA-N
MW105.14 g/mol
LogP-1.44
Rot. Bonds4

About 2-(2-hydroxyethylamino)ethanol

2-(2-hydroxyethylamino)ethanol (PubChem CID 8113) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol
PubChem CID8113
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name2-(2-hydroxyethylamino)ethanol
SMILESOCCNCCO
InChIInChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChIKeyZBCBWPMODOFKDW-UHFFFAOYSA-N
XLogP-1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol (CID 8113) is 2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol is OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol?
The InChIKey is ZBCBWPMODOFKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol?
2-(2-hydroxyethylamino)ethanol has a molecular weight of 105.14 g/mol, XLogP of -1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 8113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).