2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol

C10H19NO2 — CID 66647910

IUPAC2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol
SMILESCC(OCCO)N1CC2CCC1C2
InChIInChI=1S/C10H19NO2/c1-8(13-5-4-12)11-7-9-2-3-10(11)6-9/h8-10,12H,2-7H2,1H3
InChIKeyHBJHOEFGDZVWIK-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.83
Rot. Bonds4

About 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol

2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol (PubChem CID 66647910) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol
PubChem CID66647910
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol
SMILESCC(OCCO)N1CC2CCC1C2
InChIInChI=1S/C10H19NO2/c1-8(13-5-4-12)11-7-9-2-3-10(11)6-9/h8-10,12H,2-7H2,1H3
InChIKeyHBJHOEFGDZVWIK-UHFFFAOYSA-N
XLogP0.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol?
The IUPAC name of 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol (CID 66647910) is 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol?
The canonical SMILES for 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol is CC(OCCO)N1CC2CCC1C2.
What is the InChIKey of 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol?
The InChIKey is HBJHOEFGDZVWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(13-5-4-12)11-7-9-2-3-10(11)6-9/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol?
2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol has a molecular weight of 185.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol is sourced from PubChem (CID 66647910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).