3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

C16H23FN2 — CID 79543612

IUPAC3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCc1cc(F)cc(NC2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H23FN2/c1-11-8-12(17)10-13(9-11)19-16-5-2-4-14(16)15-6-3-7-18-15/h8-10,14-16,18-19H,2-7H2,1H3
InChIKeyPOJRYNNSGXDFCW-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.47
Rot. Bonds3

About 3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 79543612) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID79543612
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCc1cc(F)cc(NC2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H23FN2/c1-11-8-12(17)10-13(9-11)19-16-5-2-4-14(16)15-6-3-7-18-15/h8-10,14-16,18-19H,2-7H2,1H3
InChIKeyPOJRYNNSGXDFCW-UHFFFAOYSA-N
XLogP3.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545806
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107582137
2,6-dibromo-4-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543746
3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537664
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
2,4,6-trimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536673
2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 83078172
2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546014
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79541370
2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
CID 107700278
4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543661

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 79543612) is 3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is Cc1cc(F)cc(NC2CCCC2C2CCCN2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is POJRYNNSGXDFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-11-8-12(17)10-13(9-11)19-16-5-2-4-14(16)15-6-3-7-18-15/h8-10,14-16,18-19H,2-7H2,1H3.
What are the key properties of 3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline has a molecular weight of 262.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 79543612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).