2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane

C20H21NO — CID 162295355

IUPAC2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane
SMILESCc1ccc2c(oc3ccccc32)c1C1C2CCN(C2)C1C
InChIInChI=1S/C20H21NO/c1-12-7-8-16-15-5-3-4-6-17(15)22-20(16)18(12)19-13(2)21-10-9-14(19)11-21/h3-8,13-14,19H,9-11H2,1-2H3
InChIKeyQGADQOSGVNXSAR-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.70
Rot. Bonds1

About 2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane

2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane (PubChem CID 162295355) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane
PubChem CID162295355
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane
SMILESCc1ccc2c(oc3ccccc32)c1C1C2CCN(C2)C1C
InChIInChI=1S/C20H21NO/c1-12-7-8-16-15-5-3-4-6-17(15)22-20(16)18(12)19-13(2)21-10-9-14(19)11-21/h3-8,13-14,19H,9-11H2,1-2H3
InChIKeyQGADQOSGVNXSAR-UHFFFAOYSA-N
XLogP4.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine
CID 162295338
7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 137454819
10-methyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295357
(2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane
CID 137454235
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
8,10-dimethyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295351
1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine
CID 144815866
(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
1-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole
CID 134285418
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane (CID 162295355) is 2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane is Cc1ccc2c(oc3ccccc32)c1C1C2CCN(C2)C1C.
What is the InChIKey of 2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is QGADQOSGVNXSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-12-7-8-16-15-5-3-4-6-17(15)22-20(16)18(12)19-13(2)21-10-9-14(19)11-21/h3-8,13-14,19H,9-11H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane?
2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 291.39 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 162295355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).