(2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine

C20H33N — CID 175698363

IUPAC(2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine
SMILESCCc1cccc(CC)c1N1C[C@](C)(CC)C[C@@]1(C)CC
InChIInChI=1S/C20H33N/c1-7-16-12-11-13-17(8-2)18(16)21-15-19(5,9-3)14-20(21,6)10-4/h11-13H,7-10,14-15H2,1-6H3/t19-,20-/m1/s1
InChIKeyVKJLYNWSTSOEBO-WOJBJXKFSA-N
MW287.49 g/mol
LogP5.61
Rot. Bonds5

About (2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine

(2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine (PubChem CID 175698363) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is (2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine
PubChem CID175698363
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name(2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine
SMILESCCc1cccc(CC)c1N1C[C@](C)(CC)C[C@@]1(C)CC
InChIInChI=1S/C20H33N/c1-7-16-12-11-13-17(8-2)18(16)21-15-19(5,9-3)14-20(21,6)10-4/h11-13H,7-10,14-15H2,1-6H3/t19-,20-/m1/s1
InChIKeyVKJLYNWSTSOEBO-WOJBJXKFSA-N
XLogP5.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine?
The IUPAC name of (2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine (CID 175698363) is (2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine.
What is the SMILES notation for (2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine?
The canonical SMILES for (2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine is CCc1cccc(CC)c1N1C[C@](C)(CC)C[C@@]1(C)CC.
What is the InChIKey of (2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine?
The InChIKey is VKJLYNWSTSOEBO-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H33N/c1-7-16-12-11-13-17(8-2)18(16)21-15-19(5,9-3)14-20(21,6)10-4/h11-13H,7-10,14-15H2,1-6H3/t19-,20-/m1/s1.
What are the key properties of (2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine?
(2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine has a molecular weight of 287.49 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine is sourced from PubChem (CID 175698363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).