2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline

C14H20FN3O — CID 63168190

IUPAC2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
SMILESNc1c(F)cccc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H20FN3O/c15-12-2-1-3-13(14(12)16)18-5-4-11(10-18)17-6-8-19-9-7-17/h1-3,11H,4-10,16H2
InChIKeyCRGWQLJSBUPALE-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.32
Rot. Bonds2

About 2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline

2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline (PubChem CID 63168190) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
PubChem CID63168190
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
SMILESNc1c(F)cccc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H20FN3O/c15-12-2-1-3-13(14(12)16)18-5-4-11(10-18)17-6-8-19-9-7-17/h1-3,11H,4-10,16H2
InChIKeyCRGWQLJSBUPALE-UHFFFAOYSA-N
XLogP1.32
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine
CID 63171297
3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
CID 63168232
4-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]morpholine
CID 172905301
(1R)-1-[3-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 63369223
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170469
1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168224
(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78930853
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-6-fluorobenzonitrile
CID 80553476
[1-(2-amino-3-fluorophenyl)piperidin-4-yl]methanol
CID 60790060
2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 115506976
2-[4-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 63783108
2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 79515780

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline (CID 63168190) is 2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline is Nc1c(F)cccc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline?
The InChIKey is CRGWQLJSBUPALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-12-2-1-3-13(14(12)16)18-5-4-11(10-18)17-6-8-19-9-7-17/h1-3,11H,4-10,16H2.
What are the key properties of 2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline?
2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline has a molecular weight of 265.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 63168190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).