2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline

C14H21FN2 — CID 103590666

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline
SMILESCCC1CCC(C)N1c1cc(C)c(F)cc1N
InChIInChI=1S/C14H21FN2/c1-4-11-6-5-10(3)17(11)14-7-9(2)12(15)8-13(14)16/h7-8,10-11H,4-6,16H2,1-3H3
InChIKeyTVLNWZSYBDOVEB-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.48
Rot. Bonds2

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline

2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline (PubChem CID 103590666) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline
PubChem CID103590666
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline
SMILESCCC1CCC(C)N1c1cc(C)c(F)cc1N
InChIInChI=1S/C14H21FN2/c1-4-11-6-5-10(3)17(11)14-7-9(2)12(15)8-13(14)16/h7-8,10-11H,4-6,16H2,1-3H3
InChIKeyTVLNWZSYBDOVEB-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.48
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

4-(2-ethyl-5-methylpyrrolidin-1-yl)-3,5-difluoroaniline
CID 83218583
4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)aniline
CID 83218584
4-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)benzonitrile
CID 113444261
[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
4-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(trifluoromethyl)aniline
CID 83218586
2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline
CID 129452350
methyl 3-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)benzoate
CID 83219818
2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline
CID 103590369
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 107926317
1-[4-(chloromethyl)-2-methylphenyl]-2-ethyl-5-methylpyrrolidine
CID 83220397
4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoroaniline
CID 106492008

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline (CID 103590666) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline is CCC1CCC(C)N1c1cc(C)c(F)cc1N.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline?
The InChIKey is TVLNWZSYBDOVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-4-11-6-5-10(3)17(11)14-7-9(2)12(15)8-13(14)16/h7-8,10-11H,4-6,16H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline has a molecular weight of 236.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-fluoro-4-methylaniline is sourced from PubChem (CID 103590666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).