3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane

C20H25NO2 — CID 22143394

IUPAC3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCOCOc1ccc2cc(C3CC4CCC(C3)N4C)ccc2c1
InChIInChI=1S/C20H25NO2/c1-21-18-6-7-19(21)11-17(10-18)15-3-4-16-12-20(23-13-22-2)8-5-14(16)9-15/h3-5,8-9,12,17-19H,6-7,10-11,13H2,1-2H3
InChIKeyPKEVYZFSNQTRSG-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.16
Rot. Bonds4

About 3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane

3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 22143394) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID22143394
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCOCOc1ccc2cc(C3CC4CCC(C3)N4C)ccc2c1
InChIInChI=1S/C20H25NO2/c1-21-18-6-7-19(21)11-17(10-18)15-3-4-16-12-20(23-13-22-2)8-5-14(16)9-15/h3-5,8-9,12,17-19H,6-7,10-11,13H2,1-2H3
InChIKeyPKEVYZFSNQTRSG-UHFFFAOYSA-N
XLogP4.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane (CID 22143394) is 3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane is COCOc1ccc2cc(C3CC4CCC(C3)N4C)ccc2c1.
What is the InChIKey of 3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is PKEVYZFSNQTRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-21-18-6-7-19(21)11-17(10-18)15-3-4-16-12-20(23-13-22-2)8-5-14(16)9-15/h3-5,8-9,12,17-19H,6-7,10-11,13H2,1-2H3.
What are the key properties of 3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 311.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(methoxymethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 22143394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).