1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine

C21H27N — CID 158907970

IUPAC1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine
SMILESCc1cccc(C)c1N1C(C)C(c2ccccc2)CC1(C)C
InChIInChI=1S/C21H27N/c1-15-10-9-11-16(2)20(15)22-17(3)19(14-21(22,4)5)18-12-7-6-8-13-18/h6-13,17,19H,14H2,1-5H3
InChIKeyKZSXKCAIJYVEAX-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.46
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine

1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine (PubChem CID 158907970) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine
PubChem CID158907970
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine
SMILESCc1cccc(C)c1N1C(C)C(c2ccccc2)CC1(C)C
InChIInChI=1S/C21H27N/c1-15-10-9-11-16(2)20(15)22-17(3)19(14-21(22,4)5)18-12-7-6-8-13-18/h6-13,17,19H,14H2,1-5H3
InChIKeyKZSXKCAIJYVEAX-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-1-(2,6-diethylphenyl)-2,2,5-trimethyl-4-naphthalen-2-ylpyrrolidine
CID 158907974
[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene
CID 102136520
(2-methylcyclopent-3-en-1-yl)benzene
CID 85085291
(2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044487
dimethyl (6S,7aR)-7,7-dimethyl-6-phenyl-6,7a-dihydro-1H-indene-2,2-dicarboxylate
CID 101455584
3-(2,6-dimethylphenyl)-2-phenyl-1,2-dihydroimidazole
CID 59621836
(2,2,5,5-Tetramethyl-3-phenylpyrrolidin-1-yl)oxidanyl
CID 165349143
(1R,3S,4R)-3-phenylbicyclo[2.1.0]pentane-1-carboxylic acid
CID 170898169
[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020695
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
1,3-bis(2,6-dimethylphenyl)-2H-imidazole;silver
CID 175743302
5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid
CID 125044623

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine?
The IUPAC name of 1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine (CID 158907970) is 1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine is Cc1cccc(C)c1N1C(C)C(c2ccccc2)CC1(C)C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine?
The InChIKey is KZSXKCAIJYVEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-15-10-9-11-16(2)20(15)22-17(3)19(14-21(22,4)5)18-12-7-6-8-13-18/h6-13,17,19H,14H2,1-5H3.
What are the key properties of 1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine?
1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine has a molecular weight of 293.45 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2,2,5-trimethyl-4-phenylpyrrolidine is sourced from PubChem (CID 158907970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).