3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane

C20H23NO2 — CID 66882259

IUPAC3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane
SMILESCOc1cccc(-c2cccc(OC3CC4CCC(C3)N4)c2)c1
InChIInChI=1S/C20H23NO2/c1-22-18-6-2-4-14(10-18)15-5-3-7-19(11-15)23-20-12-16-8-9-17(13-20)21-16/h2-7,10-11,16-17,20-21H,8-9,12-13H2,1H3
InChIKeyIXTAPBSOEJWDDM-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.02
Rot. Bonds4

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

3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 66882259) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane
PubChem CID66882259
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane
SMILESCOc1cccc(-c2cccc(OC3CC4CCC(C3)N4)c2)c1
InChIInChI=1S/C20H23NO2/c1-22-18-6-2-4-14(10-18)15-5-3-7-19(11-15)23-20-12-16-8-9-17(13-20)21-16/h2-7,10-11,16-17,20-21H,8-9,12-13H2,1H3
InChIKeyIXTAPBSOEJWDDM-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 66881018
3-[3-(4-fluorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 66881407
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride
CID 66721903
3-[3-[3-(trifluoromethoxy)phenyl]phenoxy]-8-azabicyclo[3.2.1]octane
CID 66882043
3-(3-methoxyphenoxy)cyclobutan-1-amine
CID 66356689
(1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane
CID 58878565
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate
CID 11276989
(1S,5R)-3-(3-bromophenoxy)-9-azabicyclo[3.3.1]nonane
CID 58878515
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3-(3-prop-1-ynylphenoxy)-9-azabicyclo[3.3.1]nonane
CID 66839959
(1R,5S)-3-[3-phenyl-5-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 53318705

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane (CID 66882259) is 3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane is COc1cccc(-c2cccc(OC3CC4CCC(C3)N4)c2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is IXTAPBSOEJWDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-22-18-6-2-4-14(10-18)15-5-3-7-19(11-15)23-20-12-16-8-9-17(13-20)21-16/h2-7,10-11,16-17,20-21H,8-9,12-13H2,1H3.
What are the key properties of 3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 309.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66882259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).