(1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane

C16H23NO3 — CID 58878565

IUPAC(1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane
SMILESCOc1cc(OC)cc(OC2C[C@H]3CCC[C@@H](C2)N3)c1
InChIInChI=1S/C16H23NO3/c1-18-13-8-14(19-2)10-16(9-13)20-15-6-11-4-3-5-12(7-15)17-11/h8-12,15,17H,3-7H2,1-2H3/t11-,12+,15?
InChIKeyMOGXWZMNGBHYAS-ODOQXGPZSA-N
MW277.36 g/mol
LogP2.76
Rot. Bonds4

About (1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane

(1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane (PubChem CID 58878565) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane
PubChem CID58878565
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane
SMILESCOc1cc(OC)cc(OC2C[C@H]3CCC[C@@H](C2)N3)c1
InChIInChI=1S/C16H23NO3/c1-18-13-8-14(19-2)10-16(9-13)20-15-6-11-4-3-5-12(7-15)17-11/h8-12,15,17H,3-7H2,1-2H3/t11-,12+,15?
InChIKeyMOGXWZMNGBHYAS-ODOQXGPZSA-N
XLogP2.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane (CID 58878565) is (1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane is COc1cc(OC)cc(OC2C[C@H]3CCC[C@@H](C2)N3)c1.
What is the InChIKey of (1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane?
The InChIKey is MOGXWZMNGBHYAS-ODOQXGPZSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-13-8-14(19-2)10-16(9-13)20-15-6-11-4-3-5-12(7-15)17-11/h8-12,15,17H,3-7H2,1-2H3/t11-,12+,15?.
What are the key properties of (1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane?
(1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane has a molecular weight of 277.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(3,5-dimethoxyphenoxy)-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 58878565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).