1-(1-ethoxyethylamino)ethanol

C6H15NO2 — CID 18004306

IUPAC1-(1-ethoxyethylamino)ethanol
SMILESCCOC(C)NC(C)O
InChIInChI=1S/C6H15NO2/c1-4-9-6(3)7-5(2)8/h5-8H,4H2,1-3H3
InChIKeySJSLRQSGGUFTHN-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.30
Rot. Bonds4

About 1-(1-ethoxyethylamino)ethanol

1-(1-ethoxyethylamino)ethanol (PubChem CID 18004306) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-(1-ethoxyethylamino)ethanol.

Molecular Properties

Compound Name1-(1-ethoxyethylamino)ethanol
PubChem CID18004306
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name1-(1-ethoxyethylamino)ethanol
SMILESCCOC(C)NC(C)O
InChIInChI=1S/C6H15NO2/c1-4-9-6(3)7-5(2)8/h5-8H,4H2,1-3H3
InChIKeySJSLRQSGGUFTHN-UHFFFAOYSA-N
XLogP0.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-N-methylethanamine
CID 57089902
1-ethoxyethanol;N-methylmethanamine
CID 18941772
(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
CID 93481820
1-(1-hydroxyethylamino)ethanol
CID 18183743
CID 159597367
CID 159597367
N-(1-ethoxyethyl)propan-1-amine
CID 23317827
strontium;1-ethoxyethanol;hydride
CID 174472576
1,3-diethoxy-2-methylpropane-1,3-diol
CID 162410705
1-(pentan-3-ylamino)ethanol
CID 18004281
1-(1-hydroxyethylamino)ethanol;hydrochloride
CID 57449436
1-(1-hydroxyethylamino)ethanol;hydrobromide
CID 173051488
1-(1-propoxyethylamino)propan-1-ol
CID 174540244

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethylamino)ethanol?
The IUPAC name of 1-(1-ethoxyethylamino)ethanol (CID 18004306) is 1-(1-ethoxyethylamino)ethanol.
What is the SMILES notation for 1-(1-ethoxyethylamino)ethanol?
The canonical SMILES for 1-(1-ethoxyethylamino)ethanol is CCOC(C)NC(C)O.
What is the InChIKey of 1-(1-ethoxyethylamino)ethanol?
The InChIKey is SJSLRQSGGUFTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-4-9-6(3)7-5(2)8/h5-8H,4H2,1-3H3.
What are the key properties of 1-(1-ethoxyethylamino)ethanol?
1-(1-ethoxyethylamino)ethanol has a molecular weight of 133.19 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethylamino)ethanol is sourced from PubChem (CID 18004306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).