4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline

C13H18F2N2 — CID 83218583

IUPAC4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline
SMILESCCC1CCC(C)N1c1c(F)cc(N)cc1F
InChIInChI=1S/C13H18F2N2/c1-3-10-5-4-8(2)17(10)13-11(14)6-9(16)7-12(13)15/h6-8,10H,3-5,16H2,1-2H3
InChIKeySDPKIIOLNHDIGB-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.31
Rot. Bonds2

About 4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline

4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline (PubChem CID 83218583) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline
PubChem CID83218583
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline
SMILESCCC1CCC(C)N1c1c(F)cc(N)cc1F
InChIInChI=1S/C13H18F2N2/c1-3-10-5-4-8(2)17(10)13-11(14)6-9(16)7-12(13)15/h6-8,10H,3-5,16H2,1-2H3
InChIKeySDPKIIOLNHDIGB-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline
CID 103590666
4-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(trifluoromethyl)aniline
CID 83218586
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine
CID 83227227
[4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227050
2-(2-ethyl-5-methylpyrrolidin-1-yl)aniline
CID 83218413
4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)aniline
CID 83218584
[3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227316
4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoroaniline
CID 106492008
2-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 83224651
4-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)benzonitrile
CID 113444261
2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridin-3-amine
CID 83218074
2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-methylpyridin-3-amine
CID 83217895

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline?
The IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline (CID 83218583) is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline.
What is the SMILES notation for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline?
The canonical SMILES for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline is CCC1CCC(C)N1c1c(F)cc(N)cc1F.
What is the InChIKey of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline?
The InChIKey is SDPKIIOLNHDIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-3-10-5-4-8(2)17(10)13-11(14)6-9(16)7-12(13)15/h6-8,10H,3-5,16H2,1-2H3.
What are the key properties of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline?
4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline has a molecular weight of 240.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline is sourced from PubChem (CID 83218583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).