2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol

C11H19NO3 — CID 62347388

IUPAC2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
SMILESCCc1ccc(CNCCOCCO)o1
InChIInChI=1S/C11H19NO3/c1-2-10-3-4-11(15-10)9-12-5-7-14-8-6-13/h3-4,12-13H,2,5-9H2,1H3
InChIKeyKZBTTYIMGUFUHA-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.94
Rot. Bonds8

About 2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol

2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol (PubChem CID 62347388) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
PubChem CID62347388
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
SMILESCCc1ccc(CNCCOCCO)o1
InChIInChI=1S/C11H19NO3/c1-2-10-3-4-11(15-10)9-12-5-7-14-8-6-13/h3-4,12-13H,2,5-9H2,1H3
InChIKeyKZBTTYIMGUFUHA-UHFFFAOYSA-N
XLogP0.94
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.94
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

N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699316
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
CID 115697359
2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol
CID 115707279
2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17156649
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid
CID 106305544
2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol
CID 17156363

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol (CID 62347388) is 2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol is CCc1ccc(CNCCOCCO)o1.
What is the InChIKey of 2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol?
The InChIKey is KZBTTYIMGUFUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-10-3-4-11(15-10)9-12-5-7-14-8-6-13/h3-4,12-13H,2,5-9H2,1H3.
What are the key properties of 2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol?
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol has a molecular weight of 213.28 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 62347388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).