2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol

C10H19NO2 — CID 94064567

IUPAC2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol
SMILESOCCOCCN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H19NO2/c12-4-6-13-5-3-11-8-9-1-2-10(11)7-9/h9-10,12H,1-8H2/t9-,10+/m1/s1
InChIKeyXHCXVEOOEJMFIP-ZJUUUORDSA-N
MW185.27 g/mol
LogP0.48
Rot. Bonds5

About 2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol

2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol (PubChem CID 94064567) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol
PubChem CID94064567
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol
SMILESOCCOCCN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H19NO2/c12-4-6-13-5-3-11-8-9-1-2-10(11)7-9/h9-10,12H,1-8H2/t9-,10+/m1/s1
InChIKeyXHCXVEOOEJMFIP-ZJUUUORDSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol (CID 94064567) is 2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol is OCCOCCN1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of 2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol?
The InChIKey is XHCXVEOOEJMFIP-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO2/c12-4-6-13-5-3-11-8-9-1-2-10(11)7-9/h9-10,12H,1-8H2/t9-,10+/m1/s1.
What are the key properties of 2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol?
2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol has a molecular weight of 185.27 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanol is sourced from PubChem (CID 94064567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).