[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol

C11H19NO4 — CID 64593159

IUPAC[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
SMILESCOCCOCCNCc1ccc(CO)o1
InChIInChI=1S/C11H19NO4/c1-14-6-7-15-5-4-12-8-10-2-3-11(9-13)16-10/h2-3,12-13H,4-9H2,1H3
InChIKeyLIWCHRHDYSOEGK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.52
Rot. Bonds9

About [5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol

[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol (PubChem CID 64593159) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is [5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
PubChem CID64593159
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
SMILESCOCCOCCNCc1ccc(CO)o1
InChIInChI=1S/C11H19NO4/c1-14-6-7-15-5-4-12-8-10-2-3-11(9-13)16-10/h2-3,12-13H,4-9H2,1H3
InChIKeyLIWCHRHDYSOEGK-UHFFFAOYSA-N
XLogP0.52
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol (CID 64593159) is [5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol is COCCOCCNCc1ccc(CO)o1.
What is the InChIKey of [5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol?
The InChIKey is LIWCHRHDYSOEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-14-6-7-15-5-4-12-8-10-2-3-11(9-13)16-10/h2-3,12-13H,4-9H2,1H3.
What are the key properties of [5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol?
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol has a molecular weight of 229.28 g/mol, XLogP of 0.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64593159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).