1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine

C16H22F3N — CID 145097309

IUPAC1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine
SMILESCc1ccc(CCC2CCC(C)N2C)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-11-4-6-13(15(10-11)16(17,18)19)7-9-14-8-5-12(2)20(14)3/h4,6,10,12,14H,5,7-9H2,1-3H3
InChIKeyGCLCGACIWSNLBB-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.43
Rot. Bonds3

About 1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine

1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine (PubChem CID 145097309) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine.

Molecular Properties

Compound Name1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine
PubChem CID145097309
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine
SMILESCc1ccc(CCC2CCC(C)N2C)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-11-4-6-13(15(10-11)16(17,18)19)7-9-14-8-5-12(2)20(14)3/h4,6,10,12,14H,5,7-9H2,1-3H3
InChIKeyGCLCGACIWSNLBB-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
CID 91883597
1,5-dimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 178094540
(3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine
CID 130286479
2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 118563650
2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 71136901
1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
CID 118269320
ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 144816585
1-(2-cyclopentylethyl)-4-isocyano-2-(trifluoromethyl)benzene
CID 140927077
4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 144622856
N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide
CID 171089642
4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]azocane
CID 163787367
(2S)-1,2-dimethyl-5-(3-methylbutyl)pyrrolidine
CID 169105766

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
The IUPAC name of 1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine (CID 145097309) is 1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine.
What is the SMILES notation for 1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
The canonical SMILES for 1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine is Cc1ccc(CCC2CCC(C)N2C)c(C(F)(F)F)c1.
What is the InChIKey of 1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
The InChIKey is GCLCGACIWSNLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11-4-6-13(15(10-11)16(17,18)19)7-9-14-8-5-12(2)20(14)3/h4,6,10,12,14H,5,7-9H2,1-3H3.
What are the key properties of 1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine has a molecular weight of 285.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrrolidine is sourced from PubChem (CID 145097309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).