(1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane

C13H16ClNO — CID 53316913

IUPAC(1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane
SMILESClc1ccccc1OC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C13H16ClNO/c14-12-3-1-2-4-13(12)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2/t9-,10+,11?
InChIKeyMJWXDPDEDHUUJV-ZACCUICWSA-N
MW237.73 g/mol
LogP3.00
Rot. Bonds2

About (1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane

(1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 53316913) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane
PubChem CID53316913
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane
SMILESClc1ccccc1OC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C13H16ClNO/c14-12-3-1-2-4-13(12)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2/t9-,10+,11?
InChIKeyMJWXDPDEDHUUJV-ZACCUICWSA-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

Analyze (1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-Chlorophenoxy)butyl]piperidine
CID 2057799
3-(3-Chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 11230136
3-(4-Chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 11310934
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
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)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562373
(3R)-3-[(S)-(2-chlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562374
3-(2-Chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 76008193
3-Phenoxy-8-azabicyclo[3.2.1]octane
CID 66927758

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane (CID 53316913) is (1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane is Clc1ccccc1OC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is MJWXDPDEDHUUJV-ZACCUICWSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-12-3-1-2-4-13(12)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2/t9-,10+,11?.
What are the key properties of (1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-(2-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 (1R,5S)-3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 53316913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).