2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane

C15H25N — CID 90801610

IUPAC2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane
SMILESCC.Cc1ccc(C)c(C2CCCN2C)c1
InChIInChI=1S/C13H19N.C2H6/c1-10-6-7-11(2)12(9-10)13-5-4-8-14(13)3;1-2/h6-7,9,13H,4-5,8H2,1-3H3;1-2H3
InChIKeyNVXPXPRMXFTTEZ-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.10
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane

2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane (PubChem CID 90801610) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane
PubChem CID90801610
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane
SMILESCC.Cc1ccc(C)c(C2CCCN2C)c1
InChIInChI=1S/C13H19N.C2H6/c1-10-6-7-11(2)12(9-10)13-5-4-8-14(13)3;1-2/h6-7,9,13H,4-5,8H2,1-3H3;1-2H3
InChIKeyNVXPXPRMXFTTEZ-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
2-(2,5-dimethylphenyl)-1-(2-ethenylsulfonylethyl)pyrrolidine
CID 138051001
2-(2,5-dimethylphenyl)piperidine-1-carbothioamide
CID 141244951
[3-methyl-4-(1-methylpyrrolidin-2-yl)phenyl] thiohypofluorite
CID 143664570
1-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625368
2-methyl-5-(1-methylpyrrolidin-2-yl)aniline
CID 82279453
4-methyl-3-(1-methylpiperidin-2-yl)pyridine
CID 102539165
4-methyl-2-(1-methylazetidin-2-yl)benzonitrile
CID 151802336
6-[(2S)-2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 97069865
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 71917445
5-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 97304838
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane (CID 90801610) is 2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane is CC.Cc1ccc(C)c(C2CCCN2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane?
The InChIKey is NVXPXPRMXFTTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2H6/c1-10-6-7-11(2)12(9-10)13-5-4-8-14(13)3;1-2/h6-7,9,13H,4-5,8H2,1-3H3;1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane?
2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane has a molecular weight of 219.37 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane is sourced from PubChem (CID 90801610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).