1-(1-hydroxyethylamino)ethanol;hydrochloride

C4H12ClNO2 — CID 57449436

IUPAC1-(1-hydroxyethylamino)ethanol;hydrochloride
SMILESCC(O)NC(C)O.Cl
InChIInChI=1S/C4H11NO2.ClH/c1-3(6)5-4(2)7;/h3-7H,1-2H3;1H
InChIKeyKWZNEJISMPXLFS-UHFFFAOYSA-N
MW141.60 g/mol
LogP-0.33
Rot. Bonds2

About 1-(1-hydroxyethylamino)ethanol;hydrochloride

1-(1-hydroxyethylamino)ethanol;hydrochloride (PubChem CID 57449436) has the molecular formula C4H12ClNO2 and a molecular weight of 141.60 g/mol. Its IUPAC name is 1-(1-hydroxyethylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(1-hydroxyethylamino)ethanol;hydrochloride
PubChem CID57449436
Molecular FormulaC4H12ClNO2
Molecular Weight141.60 g/mol
Exact Mass141.06
IUPAC Name1-(1-hydroxyethylamino)ethanol;hydrochloride
SMILESCC(O)NC(C)O.Cl
InChIInChI=1S/C4H11NO2.ClH/c1-3(6)5-4(2)7;/h3-7H,1-2H3;1H
InChIKeyKWZNEJISMPXLFS-UHFFFAOYSA-N
XLogP-0.33
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethylamino)ethanol;hydrochloride?
The IUPAC name of 1-(1-hydroxyethylamino)ethanol;hydrochloride (CID 57449436) is 1-(1-hydroxyethylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(1-hydroxyethylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(1-hydroxyethylamino)ethanol;hydrochloride is CC(O)NC(C)O.Cl.
What is the InChIKey of 1-(1-hydroxyethylamino)ethanol;hydrochloride?
The InChIKey is KWZNEJISMPXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.ClH/c1-3(6)5-4(2)7;/h3-7H,1-2H3;1H.
What are the key properties of 1-(1-hydroxyethylamino)ethanol;hydrochloride?
1-(1-hydroxyethylamino)ethanol;hydrochloride has a molecular weight of 141.60 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethylamino)ethanol;hydrochloride is sourced from PubChem (CID 57449436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).