3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane

C19H20FNO — CID 66881407

IUPAC3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(-c2cccc(OC3CC4CCC(C3)N4)c2)cc1
InChIInChI=1S/C19H20FNO/c20-15-6-4-13(5-7-15)14-2-1-3-18(10-14)22-19-11-16-8-9-17(12-19)21-16/h1-7,10,16-17,19,21H,8-9,11-12H2
InChIKeyJMOXTSIZTFVVFD-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.15
Rot. Bonds3

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

3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 66881407) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane
PubChem CID66881407
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(-c2cccc(OC3CC4CCC(C3)N4)c2)cc1
InChIInChI=1S/C19H20FNO/c20-15-6-4-13(5-7-15)14-2-1-3-18(10-14)22-19-11-16-8-9-17(12-19)21-16/h1-7,10,16-17,19,21H,8-9,11-12H2
InChIKeyJMOXTSIZTFVVFD-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 66882259
3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 66881018
3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane
CID 66882043
(1R,5S)-3-[3-phenyl-5-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 53318705
(1S,5R)-3-(3-bromophenoxy)-9-azabicyclo[3.3.1]nonane
CID 58878515
3-[3-(trifluoromethoxy)phenoxy]-9-azabicyclo[3.3.1]nonane
CID 66840207
N-[3-(4-fluorophenyl)phenoxy]methanimine
CID 58996325
3-(3-prop-1-ynylphenoxy)-9-azabicyclo[3.3.1]nonane
CID 66839959
3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 66754415
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride
CID 66721903
1,1,1,3,3,3-hexafluoropropan-2-yl (3R)-3-[3-(4-fluorophenyl)phenoxy]pyrrolidine-1-carboxylate
CID 140610447
3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride
CID 77226760

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane (CID 66881407) is 3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane is Fc1ccc(-c2cccc(OC3CC4CCC(C3)N4)c2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is JMOXTSIZTFVVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-15-6-4-13(5-7-15)14-2-1-3-18(10-14)22-19-11-16-8-9-17(12-19)21-16/h1-7,10,16-17,19,21H,8-9,11-12H2.
What are the key properties of 3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 297.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66881407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).