5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine

C23H29NO — CID 146363443

IUPAC5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
SMILESCCC1N(c2c(C)ccc3c2oc2ccccc23)C(C)(C)CC1(C)C
InChIInChI=1S/C23H29NO/c1-7-19-22(3,4)14-23(5,6)24(19)20-15(2)12-13-17-16-10-8-9-11-18(16)25-21(17)20/h8-13,19H,7,14H2,1-6H3
InChIKeyAXLSDECEQJLEOD-UHFFFAOYSA-N
MW335.49 g/mol
LogP6.69
Rot. Bonds2

About 5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine

5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine (PubChem CID 146363443) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine.

Molecular Properties

Compound Name5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
PubChem CID146363443
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
SMILESCCC1N(c2c(C)ccc3c2oc2ccccc23)C(C)(C)CC1(C)C
InChIInChI=1S/C23H29NO/c1-7-19-22(3,4)14-23(5,6)24(19)20-15(2)12-13-17-16-10-8-9-11-18(16)25-21(17)20/h8-13,19H,7,14H2,1-6H3
InChIKeyAXLSDECEQJLEOD-UHFFFAOYSA-N
XLogP6.69
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 135202315
(2S)-2,3,3-trimethyl-1-(3-methyldibenzofuran-4-yl)-1-azaspiro[4.5]decane
CID 147607330
(3S)-1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 137454596
1,8,10-trimethyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296040
(1S)-4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane
CID 158953609
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
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,6R)-2,3-dimethyl-7-(3-methyldibenzofuran-4-yl)-3,7-diazabicyclo[4.1.0]hept-4-ene
CID 167206557
(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide
CID 170140733
CID 167400605
CID 167400605

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine?
The IUPAC name of 5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine (CID 146363443) is 5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine.
What is the SMILES notation for 5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine?
The canonical SMILES for 5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine is CCC1N(c2c(C)ccc3c2oc2ccccc23)C(C)(C)CC1(C)C.
What is the InChIKey of 5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine?
The InChIKey is AXLSDECEQJLEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-7-19-22(3,4)14-23(5,6)24(19)20-15(2)12-13-17-16-10-8-9-11-18(16)25-21(17)20/h8-13,19H,7,14H2,1-6H3.
What are the key properties of 5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine?
5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine has a molecular weight of 335.49 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine is sourced from PubChem (CID 146363443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).