3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane

C13H16ClNO — CID 11230136

IUPAC3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane
SMILESClc1cccc(OC2CC3CCC(C2)N3)c1
InChIInChI=1S/C13H16ClNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2
InChIKeyCEJARUPLPSANRD-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.00
Rot. Bonds2

About 3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane

3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 11230136) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane
PubChem CID11230136
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane
SMILESClc1cccc(OC2CC3CCC(C2)N3)c1
InChIInChI=1S/C13H16ClNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2
InChIKeyCEJARUPLPSANRD-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane (CID 11230136) is 3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane is Clc1cccc(OC2CC3CCC(C2)N3)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is CEJARUPLPSANRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2.
What are the key properties of 3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane has a molecular weight of 237.73 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 11230136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).