3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane

C13H16ClNO — CID 11310934

IUPAC3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane
SMILESClc1ccc(OC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C13H16ClNO/c14-9-1-5-12(6-2-9)16-13-7-10-3-4-11(8-13)15-10/h1-2,5-6,10-11,13,15H,3-4,7-8H2
InChIKeyNUQHQIXAXZDZPW-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.00
Rot. Bonds2

About 3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane

3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 11310934) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane
PubChem CID11310934
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane
SMILESClc1ccc(OC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C13H16ClNO/c14-9-1-5-12(6-2-9)16-13-7-10-3-4-11(8-13)15-10/h1-2,5-6,10-11,13,15H,3-4,7-8H2
InChIKeyNUQHQIXAXZDZPW-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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Related Compounds

3-(3-Chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 11230136
exo-(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
CID 21116177
(R)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrrolidine
CID 42641832
exo-(1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 53316913
exo-(1R,5S)-3-phenoxy-8-azabicyclo[3.2.1]octane
CID 53318218
exo-(1R,5S)-3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 53324844
1-[6-(4-Chlorophenoxy)hexyl]piperidine
CID 2057867
exo-(1R,5S)-3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 53320864
exo-(1R,5S)-3-(3-iodophenoxy)-8-azabicyclo[3.2.1]octane
CID 53326118
exo-(1R,5S)-3-(3-fluorophenoxy)-8-azabicyclo[3.2.1]octane
CID 53326119
(3S)-3-[(R)-(4-chlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562377
(3R)-3-[(S)-(4-chlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562472

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane (CID 11310934) is 3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane is Clc1ccc(OC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is NUQHQIXAXZDZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-9-1-5-12(6-2-9)16-13-7-10-3-4-11(8-13)15-10/h1-2,5-6,10-11,13,15H,3-4,7-8H2.
What are the key properties of 3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
3-(4-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-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 11310934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).