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

C19H23NO2 — CID 66933157

IUPAC(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc2cc(OC3C[C@H]4CC[C@@H](C3)N4C)ccc2c1
InChIInChI=1S/C19H23NO2/c1-20-15-5-6-16(20)12-19(11-15)22-18-8-4-13-9-17(21-2)7-3-14(13)10-18/h3-4,7-10,15-16,19H,5-6,11-12H2,1-2H3/t15-,16+,19?
InChIKeyTVPJEDZPTASHDA-MCPYQZEQSA-N
MW297.40 g/mol
LogP3.85
Rot. Bonds3

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

(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 66933157) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID66933157
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc2cc(OC3C[C@H]4CC[C@@H](C3)N4C)ccc2c1
InChIInChI=1S/C19H23NO2/c1-20-15-5-6-16(20)12-19(11-15)22-18-8-4-13-9-17(21-2)7-3-14(13)10-18/h3-4,7-10,15-16,19H,5-6,11-12H2,1-2H3/t15-,16+,19?
InChIKeyTVPJEDZPTASHDA-MCPYQZEQSA-N
XLogP3.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
CID 21116177
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride
CID 66721903
(1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 11616396
(1R,5S)-8-methyl-3-(3-methyl-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane
CID 68939464
[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine
CID 68709089
(1S,5R)-3-(4-chloro-3-fluorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 68861426
3-[(3-chloro-4H-chromen-7-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 141183919
4-methyl-6-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]chromen-2-one
CID 11536732
3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline
CID 68943596
5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline
CID 59353025
3-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]propanoic acid
CID 117095179
8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane
CID 126954192

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane (CID 66933157) is (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane is COc1ccc2cc(OC3C[C@H]4CC[C@@H](C3)N4C)ccc2c1.
What is the InChIKey of (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is TVPJEDZPTASHDA-MCPYQZEQSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20-15-5-6-16(20)12-19(11-15)22-18-8-4-13-9-17(21-2)7-3-14(13)10-18/h3-4,7-10,15-16,19H,5-6,11-12H2,1-2H3/t15-,16+,19?.
What are the key properties of (1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 297.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 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-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66933157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).