2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol

C9H17NO4 — CID 44719218

IUPAC2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol
SMILESCOC1C=CC(CNCCO)(OC)O1
InChIInChI=1S/C9H17NO4/c1-12-8-3-4-9(13-2,14-8)7-10-5-6-11/h3-4,8,10-11H,5-7H2,1-2H3
InChIKeyLNLVLLTUOVAXKO-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.53
Rot. Bonds6

About 2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol

2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol (PubChem CID 44719218) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol
PubChem CID44719218
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol
SMILESCOC1C=CC(CNCCO)(OC)O1
InChIInChI=1S/C9H17NO4/c1-12-8-3-4-9(13-2,14-8)7-10-5-6-11/h3-4,8,10-11H,5-7H2,1-2H3
InChIKeyLNLVLLTUOVAXKO-UHFFFAOYSA-N
XLogP-0.53
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol?
The IUPAC name of 2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol (CID 44719218) is 2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol?
The canonical SMILES for 2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol is COC1C=CC(CNCCO)(OC)O1.
What is the InChIKey of 2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol?
The InChIKey is LNLVLLTUOVAXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-12-8-3-4-9(13-2,14-8)7-10-5-6-11/h3-4,8,10-11H,5-7H2,1-2H3.
What are the key properties of 2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol?
2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol has a molecular weight of 203.24 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]ethanol is sourced from PubChem (CID 44719218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).