3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane

C21H23NO — CID 162296036

IUPAC3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
SMILESCc1ccc2c(oc3ccccc32)c1N1C2CCC(CC2)C1C
InChIInChI=1S/C21H23NO/c1-13-7-12-18-17-5-3-4-6-19(17)23-21(18)20(13)22-14(2)15-8-10-16(22)11-9-15/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyZBTOKBRKUPQTCQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.66
Rot. Bonds1

About 3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane

3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane (PubChem CID 162296036) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
PubChem CID162296036
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
SMILESCc1ccc2c(oc3ccccc32)c1N1C2CCC(CC2)C1C
InChIInChI=1S/C21H23NO/c1-13-7-12-18-17-5-3-4-6-19(17)23-21(18)20(13)22-14(2)15-8-10-16(22)11-9-15/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyZBTOKBRKUPQTCQ-UHFFFAOYSA-N
XLogP5.66
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037
(2R,6R)-2,3-dimethyl-7-(3-methyldibenzofuran-4-yl)-3,7-diazabicyclo[4.1.0]hept-4-ene
CID 167206557
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 137454842
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane
CID 162295355
(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide
CID 170140733
1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296040
5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 146363443
1-(3-methyldibenzofuran-4-yl)-3-[2-(2-methylphenyl)propan-2-yl]-2H-imidazole
CID 138486784

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane?
The IUPAC name of 3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane (CID 162296036) is 3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane is Cc1ccc2c(oc3ccccc32)c1N1C2CCC(CC2)C1C.
What is the InChIKey of 3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane?
The InChIKey is ZBTOKBRKUPQTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-13-7-12-18-17-5-3-4-6-19(17)23-21(18)20(13)22-14(2)15-8-10-16(22)11-9-15/h3-7,12,14-16H,8-11H2,1-2H3.
What are the key properties of 3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane?
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane has a molecular weight of 305.42 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 162296036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).