2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol

C12H14N2O3 — CID 109379880

IUPAC2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol
SMILESOCCOc1ccc(NCc2ccco2)cn1
InChIInChI=1S/C12H14N2O3/c15-5-7-17-12-4-3-10(8-14-12)13-9-11-2-1-6-16-11/h1-4,6,8,13,15H,5,7,9H2
InChIKeyACRVFFCKXRXSEQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.66
Rot. Bonds6

About 2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol

2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol (PubChem CID 109379880) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol
PubChem CID109379880
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol
SMILESOCCOc1ccc(NCc2ccco2)cn1
InChIInChI=1S/C12H14N2O3/c15-5-7-17-12-4-3-10(8-14-12)13-9-11-2-1-6-16-11/h1-4,6,8,13,15H,5,7,9H2
InChIKeyACRVFFCKXRXSEQ-UHFFFAOYSA-N
XLogP1.66
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol (CID 109379880) is 2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol is OCCOc1ccc(NCc2ccco2)cn1.
What is the InChIKey of 2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol?
The InChIKey is ACRVFFCKXRXSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-5-7-17-12-4-3-10(8-14-12)13-9-11-2-1-6-16-11/h1-4,6,8,13,15H,5,7,9H2.
What are the key properties of 2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol?
2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol has a molecular weight of 234.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 109379880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).