ethyl acetate;2-(ethylamino)ethanol

C8H19NO3 — CID 88508580

IUPACethyl acetate;2-(ethylamino)ethanol
SMILESCCNCCO.CCOC(C)=O
InChIInChI=1S/C4H11NO.C4H8O2/c1-2-5-3-4-6;1-3-6-4(2)5/h5-6H,2-4H2,1H3;3H2,1-2H3
InChIKeyIIWYFQAOLXAUEY-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.16
Rot. Bonds4

About ethyl acetate;2-(ethylamino)ethanol

ethyl acetate;2-(ethylamino)ethanol (PubChem CID 88508580) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is ethyl acetate;2-(ethylamino)ethanol.

Molecular Properties

Compound Nameethyl acetate;2-(ethylamino)ethanol
PubChem CID88508580
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Nameethyl acetate;2-(ethylamino)ethanol
SMILESCCNCCO.CCOC(C)=O
InChIInChI=1S/C4H11NO.C4H8O2/c1-2-5-3-4-6;1-3-6-4(2)5/h5-6H,2-4H2,1H3;3H2,1-2H3
InChIKeyIIWYFQAOLXAUEY-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-(ethylamino)ethanol;hydroxylamine
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ethanol;ethyl acetate
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2-(ethylamino)ethanol
CID 170923531
ethanol;ethyl acetate;hydrate
CID 86601158
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
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ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;2-(ethylamino)ethanol?
The IUPAC name of ethyl acetate;2-(ethylamino)ethanol (CID 88508580) is ethyl acetate;2-(ethylamino)ethanol.
What is the SMILES notation for ethyl acetate;2-(ethylamino)ethanol?
The canonical SMILES for ethyl acetate;2-(ethylamino)ethanol is CCNCCO.CCOC(C)=O.
What is the InChIKey of ethyl acetate;2-(ethylamino)ethanol?
The InChIKey is IIWYFQAOLXAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C4H8O2/c1-2-5-3-4-6;1-3-6-4(2)5/h5-6H,2-4H2,1H3;3H2,1-2H3.
What are the key properties of ethyl acetate;2-(ethylamino)ethanol?
ethyl acetate;2-(ethylamino)ethanol has a molecular weight of 177.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;2-(ethylamino)ethanol is sourced from PubChem (CID 88508580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).