(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride

C18H22ClNO2 — CID 66721903

IUPAC(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCOc1ccc2cc(OC3C[C@H]4CC[C@@H](C3)N4)ccc2c1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-20-16-6-2-13-9-17(7-3-12(13)8-16)21-18-10-14-4-5-15(11-18)19-14;/h2-3,6-9,14-15,18-19H,4-5,10-11H2,1H3;1H/t14-,15+,18?;
InChIKeyCFXWLHIXMPVUEU-FHNZKSGLSA-N
MW319.83 g/mol
LogP3.93
Rot. Bonds3

About (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride

(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 66721903) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID66721903
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCOc1ccc2cc(OC3C[C@H]4CC[C@@H](C3)N4)ccc2c1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-20-16-6-2-13-9-17(7-3-12(13)8-16)21-18-10-14-4-5-15(11-18)19-14;/h2-3,6-9,14-15,18-19H,4-5,10-11H2,1H3;1H/t14-,15+,18?;
InChIKeyCFXWLHIXMPVUEU-FHNZKSGLSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride (CID 66721903) is (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride is COc1ccc2cc(OC3C[C@H]4CC[C@@H](C3)N4)ccc2c1.Cl.
What is the InChIKey of (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is CFXWLHIXMPVUEU-FHNZKSGLSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-20-16-6-2-13-9-17(7-3-12(13)8-16)21-18-10-14-4-5-15(11-18)19-14;/h2-3,6-9,14-15,18-19H,4-5,10-11H2,1H3;1H/t14-,15+,18?;.
What are the key properties of (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride?
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 66721903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).