9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C19H23NO2 — CID 171963155

IUPAC9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCN1C2COCC1CC(O)(Cc1ccc3ccccc3c1)C2
InChIInChI=1S/C19H23NO2/c1-20-17-10-19(21,11-18(20)13-22-12-17)9-14-6-7-15-4-2-3-5-16(15)8-14/h2-8,17-18,21H,9-13H2,1H3
InChIKeyJSMZAEBFDGKFLZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.61
Rot. Bonds2

About 9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171963155) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171963155
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCN1C2COCC1CC(O)(Cc1ccc3ccccc3c1)C2
InChIInChI=1S/C19H23NO2/c1-20-17-10-19(21,11-18(20)13-22-12-17)9-14-6-7-15-4-2-3-5-16(15)8-14/h2-8,17-18,21H,9-13H2,1H3
InChIKeyJSMZAEBFDGKFLZ-UHFFFAOYSA-N
XLogP2.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963156
tert-butyl 7-hydroxy-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171963158
7-[(4-fluorophenyl)methyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959295
3-(naphthalen-2-ylmethyl)-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171963152
9H-fluoren-9-ylmethyl 3-hydroxy-3-(naphthalen-2-ylmethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171963138
9-methyl-7-(3-phenylmethoxypropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963355
6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol
CID 79330727
7-[2-(3-methoxyphenoxy)ethyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963578
7-isoquinolin-8-yl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171956058
9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958786
3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962228
7-but-3-enyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952648

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171963155) is 9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is CN1C2COCC1CC(O)(Cc1ccc3ccccc3c1)C2.
What is the InChIKey of 9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is JSMZAEBFDGKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20-17-10-19(21,11-18(20)13-22-12-17)9-14-6-7-15-4-2-3-5-16(15)8-14/h2-8,17-18,21H,9-13H2,1H3.
What are the key properties of 9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 297.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(naphthalen-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171963155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).