2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol

C12H23NO2 — CID 112680768

IUPAC2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
SMILESCCOCC(O)C1CC2CCC(C1)N2C
InChIInChI=1S/C12H23NO2/c1-3-15-8-12(14)9-6-10-4-5-11(7-9)13(10)2/h9-12,14H,3-8H2,1-2H3
InChIKeyUVUCHDCHMBRVRT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds4

About 2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol

2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol (PubChem CID 112680768) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol.

Molecular Properties

Compound Name2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
PubChem CID112680768
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
SMILESCCOCC(O)C1CC2CCC(C1)N2C
InChIInChI=1S/C12H23NO2/c1-3-15-8-12(14)9-6-10-4-5-11(7-9)13(10)2/h9-12,14H,3-8H2,1-2H3
InChIKeyUVUCHDCHMBRVRT-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The IUPAC name of 2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol (CID 112680768) is 2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol.
What is the SMILES notation for 2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The canonical SMILES for 2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol is CCOCC(O)C1CC2CCC(C1)N2C.
What is the InChIKey of 2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The InChIKey is UVUCHDCHMBRVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-15-8-12(14)9-6-10-4-5-11(7-9)13(10)2/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol has a molecular weight of 213.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol is sourced from PubChem (CID 112680768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).