5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane

C16H23NO2 — CID 56721642

IUPAC5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane
SMILESCC(C)Oc1ccccc1OC12CCCN(CC1)C2
InChIInChI=1S/C16H23NO2/c1-13(2)18-14-6-3-4-7-15(14)19-16-8-5-10-17(12-16)11-9-16/h3-4,6-7,13H,5,8-12H2,1-2H3
InChIKeyROUORRBXGNJAPT-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.09
Rot. Bonds4

About 5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane

5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane (PubChem CID 56721642) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane
PubChem CID56721642
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane
SMILESCC(C)Oc1ccccc1OC12CCCN(CC1)C2
InChIInChI=1S/C16H23NO2/c1-13(2)18-14-6-3-4-7-15(14)19-16-8-5-10-17(12-16)11-9-16/h3-4,6-7,13H,5,8-12H2,1-2H3
InChIKeyROUORRBXGNJAPT-UHFFFAOYSA-N
XLogP3.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane (CID 56721642) is 5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane is CC(C)Oc1ccccc1OC12CCCN(CC1)C2.
What is the InChIKey of 5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane?
The InChIKey is ROUORRBXGNJAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)18-14-6-3-4-7-15(14)19-16-8-5-10-17(12-16)11-9-16/h3-4,6-7,13H,5,8-12H2,1-2H3.
What are the key properties of 5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane?
5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane has a molecular weight of 261.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxyphenoxy)-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 56721642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).