1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane

C22H25NO — CID 165097703

IUPAC1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
SMILESCc1cc2oc3ccccc3c2cc1C12CCC(C)(CC1)N(C)C2
InChIInChI=1S/C22H25NO/c1-15-12-20-17(16-6-4-5-7-19(16)24-20)13-18(15)22-10-8-21(2,9-11-22)23(3)14-22/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyUQVFRVXTGCWUGN-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.41
Rot. Bonds1

About 1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane

1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane (PubChem CID 165097703) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
PubChem CID165097703
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
SMILESCc1cc2oc3ccccc3c2cc1C12CCC(C)(CC1)N(C)C2
InChIInChI=1S/C22H25NO/c1-15-12-20-17(16-6-4-5-7-19(16)24-20)13-18(15)22-10-8-21(2,9-11-22)23(3)14-22/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyUQVFRVXTGCWUGN-UHFFFAOYSA-N
XLogP5.41
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-4-(3-methyldibenzofuran-2-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

CID 164706114
CID 164706114
6-methyl-7-(3-methyldibenzofuran-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane
CID 162296779
(3S)-1,3,4,5-tetramethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 137454517
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
3,4-dimethyl-2-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane
CID 162296056
2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane
CID 162295435
(3S)-2,3-dimethyl-4-(3-methyldibenzofuran-2-yl)-3,5-dihydro-1H-2,4-benzodiazepine
CID 137454756
7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
CID 129267055
3-methyldibenzofuran;3,4,9,9-tetramethylfluorene
CID 162362619
8-(dibenzofuran-2-ylmethyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70721237
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
19,20-dimethyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154959627

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane?
The IUPAC name of 1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane (CID 165097703) is 1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane is Cc1cc2oc3ccccc3c2cc1C12CCC(C)(CC1)N(C)C2.
What is the InChIKey of 1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane?
The InChIKey is UQVFRVXTGCWUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-15-12-20-17(16-6-4-5-7-19(16)24-20)13-18(15)22-10-8-21(2,9-11-22)23(3)14-22/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane?
1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane has a molecular weight of 319.45 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(3-methyldibenzofuran-2-yl)-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 165097703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).