4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline

C14H19FIN3 — CID 66099728

IUPAC4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1cc(I)c(F)cc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H19FIN3/c15-11-7-14(13(17)8-12(11)16)19-6-3-10(9-19)18-4-1-2-5-18/h7-8,10H,1-6,9,17H2
InChIKeyMDZBZLIBFBZMOJ-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.69
Rot. Bonds2

About 4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline

4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline (PubChem CID 66099728) has the molecular formula C14H19FIN3 and a molecular weight of 375.23 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
PubChem CID66099728
Molecular FormulaC14H19FIN3
Molecular Weight375.23 g/mol
Exact Mass375.06
IUPAC Name4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1cc(I)c(F)cc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H19FIN3/c15-11-7-14(13(17)8-12(11)16)19-6-3-10(9-19)18-4-1-2-5-18/h7-8,10H,1-6,9,17H2
InChIKeyMDZBZLIBFBZMOJ-UHFFFAOYSA-N
XLogP2.69
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-fluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 66077256
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 115506976
4-fluoro-5-iodo-2-(3-phenylpyrrolidin-1-yl)aniline
CID 66101293
5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 107259226
7-(2-amino-5-fluoro-4-iodophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091718
1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194407
3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 63168533
1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine
CID 78021133
3,4-difluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 63168405
2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 55159356
4-amino-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzoic acid
CID 82796630

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline (CID 66099728) is 4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline is Nc1cc(I)c(F)cc1N1CCC(N2CCCC2)C1.
What is the InChIKey of 4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The InChIKey is MDZBZLIBFBZMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FIN3/c15-11-7-14(13(17)8-12(11)16)19-6-3-10(9-19)18-4-1-2-5-18/h7-8,10H,1-6,9,17H2.
What are the key properties of 4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline has a molecular weight of 375.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 66099728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).