2-[2-(furan-3-ylmethylamino)ethoxy]ethanol

C9H15NO3 — CID 63032955

IUPAC2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
SMILESOCCOCCNCc1ccoc1
InChIInChI=1S/C9H15NO3/c11-3-6-12-5-2-10-7-9-1-4-13-8-9/h1,4,8,10-11H,2-3,5-7H2
InChIKeyQGCNCUHVINJCPL-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.38
Rot. Bonds7

About 2-[2-(furan-3-ylmethylamino)ethoxy]ethanol

2-[2-(furan-3-ylmethylamino)ethoxy]ethanol (PubChem CID 63032955) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[2-(furan-3-ylmethylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
PubChem CID63032955
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
SMILESOCCOCCNCc1ccoc1
InChIInChI=1S/C9H15NO3/c11-3-6-12-5-2-10-7-9-1-4-13-8-9/h1,4,8,10-11H,2-3,5-7H2
InChIKeyQGCNCUHVINJCPL-UHFFFAOYSA-N
XLogP0.38
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-ylmethylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(furan-3-ylmethylamino)ethoxy]ethanol (CID 63032955) is 2-[2-(furan-3-ylmethylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(furan-3-ylmethylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(furan-3-ylmethylamino)ethoxy]ethanol is OCCOCCNCc1ccoc1.
What is the InChIKey of 2-[2-(furan-3-ylmethylamino)ethoxy]ethanol?
The InChIKey is QGCNCUHVINJCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-3-6-12-5-2-10-7-9-1-4-13-8-9/h1,4,8,10-11H,2-3,5-7H2.
What are the key properties of 2-[2-(furan-3-ylmethylamino)ethoxy]ethanol?
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol has a molecular weight of 185.22 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-ylmethylamino)ethoxy]ethanol is sourced from PubChem (CID 63032955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).