(1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane

C19H23NO2 — CID 58878555

IUPAC(1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane
SMILESCOc1cc(OC2C[C@H]3CCC[C@@H](C2)N3)c2ccccc2c1
InChIInChI=1S/C19H23NO2/c1-21-16-9-13-5-2-3-8-18(13)19(12-16)22-17-10-14-6-4-7-15(11-17)20-14/h2-3,5,8-9,12,14-15,17,20H,4,6-7,10-11H2,1H3/t14-,15+,17?
InChIKeyUOZQSMDAEFWLLC-FKEKPDDDSA-N
MW297.40 g/mol
LogP3.90
Rot. Bonds3

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

(1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane (PubChem CID 58878555) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane
PubChem CID58878555
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane
SMILESCOc1cc(OC2C[C@H]3CCC[C@@H](C2)N3)c2ccccc2c1
InChIInChI=1S/C19H23NO2/c1-21-16-9-13-5-2-3-8-18(13)19(12-16)22-17-10-14-6-4-7-15(11-17)20-14/h2-3,5,8-9,12,14-15,17,20H,4,6-7,10-11H2,1H3/t14-,15+,17?
InChIKeyUOZQSMDAEFWLLC-FKEKPDDDSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane (CID 58878555) is (1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane is COc1cc(OC2C[C@H]3CCC[C@@H](C2)N3)c2ccccc2c1.
What is the InChIKey of (1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane?
The InChIKey is UOZQSMDAEFWLLC-FKEKPDDDSA-N. The full InChI is InChI=1S/C19H23NO2/c1-21-16-9-13-5-2-3-8-18(13)19(12-16)22-17-10-14-6-4-7-15(11-17)20-14/h2-3,5,8-9,12,14-15,17,20H,4,6-7,10-11H2,1H3/t14-,15+,17?.
What are the key properties of (1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane?
(1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane has a molecular weight of 297.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(3-methoxynaphthalen-1-yl)oxy-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 58878555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).