2-(ethylamino)ethanol

C12H33N3O3 — CID 170923531

IUPAC2-(ethylamino)ethanol
SMILESCCNCCO.CCNCCO.CCNCCO
InChIInChI=1S/3C4H11NO/c3*1-2-5-3-4-6/h3*5-6H,2-4H2,1H3
InChIKeyLFOHLWVQSFMSCE-UHFFFAOYSA-N
MW267.41 g/mol
LogP-1.24
Rot. Bonds9

About 2-(ethylamino)ethanol

2-(ethylamino)ethanol (PubChem CID 170923531) has the molecular formula C12H33N3O3 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-(ethylamino)ethanol.

Molecular Properties

Compound Name2-(ethylamino)ethanol
PubChem CID170923531
Molecular FormulaC12H33N3O3
Molecular Weight267.41 g/mol
Exact Mass267.25
IUPAC Name2-(ethylamino)ethanol
SMILESCCNCCO.CCNCCO.CCNCCO
InChIInChI=1S/3C4H11NO/c3*1-2-5-3-4-6/h3*5-6H,2-4H2,1H3
InChIKeyLFOHLWVQSFMSCE-UHFFFAOYSA-N
XLogP-1.24
TPSA96.78 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.41
LogP ≤ 5-1.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)ethanol;hydrate
CID 174456532
2-(ethylamino)ethanol;hydroxylamine
CID 159506848
ethane;2-[2-(ethylamino)ethylamino]ethanol
CID 156647808
carbamodithioic acid;2-(ethylamino)ethanol
CID 174237242
2-(dimethylamino)ethanol;2-(ethylamino)ethanol
CID 88639908
2-(ethylamino)ethanol;hexadecan-1-ol
CID 174880813
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
1-(ethylamino)ethanol;2-(ethylamino)ethanol
CID 157298760
ethyl acetate;2-(ethylamino)ethanol
CID 88508580
2-(propylamino)ethanol;hydrobromide
CID 175488073
ethanamine;2-(2-hydroxyethylamino)ethanol;hydrofluoride
CID 175606240
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethanol?
The IUPAC name of 2-(ethylamino)ethanol (CID 170923531) is 2-(ethylamino)ethanol.
What is the SMILES notation for 2-(ethylamino)ethanol?
The canonical SMILES for 2-(ethylamino)ethanol is CCNCCO.CCNCCO.CCNCCO.
What is the InChIKey of 2-(ethylamino)ethanol?
The InChIKey is LFOHLWVQSFMSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H11NO/c3*1-2-5-3-4-6/h3*5-6H,2-4H2,1H3.
What are the key properties of 2-(ethylamino)ethanol?
2-(ethylamino)ethanol has a molecular weight of 267.41 g/mol, XLogP of -1.24, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethanol is sourced from PubChem (CID 170923531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).