3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline

C14H19F2N3O — CID 63168232

IUPAC3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
SMILESNc1ccc(F)c(F)c1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H19F2N3O/c15-11-1-2-12(17)14(13(11)16)19-4-3-10(9-19)18-5-7-20-8-6-18/h1-2,10H,3-9,17H2
InChIKeyYAZZIAKQZIXFMC-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.46
Rot. Bonds2

About 3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline

3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline (PubChem CID 63168232) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
PubChem CID63168232
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
SMILESNc1ccc(F)c(F)c1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H19F2N3O/c15-11-1-2-12(17)14(13(11)16)19-4-3-10(9-19)18-5-7-20-8-6-18/h1-2,10H,3-9,17H2
InChIKeyYAZZIAKQZIXFMC-UHFFFAOYSA-N
XLogP1.46
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.46
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

2-Morpholinoaniline
CID 735756
2-[4-(2-Amino-phenyl)-piperazin-1-yl]-ethanol
CID 6485408
3-Fluoro-4-morpholinoaniline
CID 1485330
N-[2-(morpholin-4-yl)ethyl]aniline
CID 2737013
4-(4-Morpholinyl)-1,3-benzenediamine
CID 808760
4-Fluoro-3-(morpholin-4-yl)aniline
CID 39239626
5-Fluoro-2-(morpholin-4-yl)aniline
CID 6485404
4-(Morpholin-4-yl)benzene-1,2-diamine
CID 14112332
3,5-Difluoro-4-(morpholin-4-yl)aniline
CID 21878168
3-Fluoro-5-(morpholin-4-yl)aniline
CID 22238158
2,5-Difluoro-4-(morpholin-4-yl)aniline
CID 58072336
2-(Morpholin-4-yl)aniline dihydrochloride
CID 75481890

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline (CID 63168232) is 3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline is Nc1ccc(F)c(F)c1N1CCC(N2CCOCC2)C1.
What is the InChIKey of 3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline?
The InChIKey is YAZZIAKQZIXFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-11-1-2-12(17)14(13(11)16)19-4-3-10(9-19)18-5-7-20-8-6-18/h1-2,10H,3-9,17H2.
What are the key properties of 3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline?
3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline has a molecular weight of 283.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 63168232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).