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

C21H27NO2 — CID 22143376

IUPAC3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCOCCOc1ccc2cc(C3CC4CCC(C3)N4C)ccc2c1
InChIInChI=1S/C21H27NO2/c1-22-19-6-7-20(22)13-18(12-19)16-3-4-17-14-21(24-10-9-23-2)8-5-15(17)11-16/h3-5,8,11,14,18-20H,6-7,9-10,12-13H2,1-2H3
InChIKeyCPBNZDKZEANNBV-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.21
Rot. Bonds5

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

3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 22143376) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID22143376
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCOCCOc1ccc2cc(C3CC4CCC(C3)N4C)ccc2c1
InChIInChI=1S/C21H27NO2/c1-22-19-6-7-20(22)13-18(12-19)16-3-4-17-14-21(24-10-9-23-2)8-5-15(17)11-16/h3-5,8,11,14,18-20H,6-7,9-10,12-13H2,1-2H3
InChIKeyCPBNZDKZEANNBV-UHFFFAOYSA-N
XLogP4.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Nafoxidine
CID 4416
3-(6-Methoxy-2-naphthalenyl)-1-azabicyclo[2.2.2]oct-2-ene
CID 11550718
1-[4-(6-Methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride
CID 11631897
1-[3-(6-Methoxy-naphthalen-2-yl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
CID 10337163
(3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride
CID 11493998
1-(4-(6-Methoxynaphthalen-1-yl)butyl)-4-methylpiperidine
CID 11558654
1-[3-(6-Methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
CID 11581052
(2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride
CID 11653155
(3S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride
CID 11674648
1-[4-(6-Methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
CID 11674649
(5R,6S)-6-phenyl-5-(4-((S)-2-(pyrrolidin-1-yl)propoxy)phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 44405133
3-[(1R,5R)-8-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol
CID 137640362

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane (CID 22143376) is 3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane is COCCOc1ccc2cc(C3CC4CCC(C3)N4C)ccc2c1.
What is the InChIKey of 3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is CPBNZDKZEANNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-22-19-6-7-20(22)13-18(12-19)16-3-4-17-14-21(24-10-9-23-2)8-5-15(17)11-16/h3-5,8,11,14,18-20H,6-7,9-10,12-13H2,1-2H3.
What are the key properties of 3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 325.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methoxyethoxy)naphthalen-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 22143376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).