4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline

C26H25F3N2O — CID 12763891

IUPAC4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline
SMILESFc1ccc(OC2=CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H25F3N2O/c27-20-2-8-23(9-3-20)31(24-10-4-21(28)5-11-24)17-1-16-30-18-14-26(15-19-30)32-25-12-6-22(29)7-13-25/h2-14H,1,15-19H2
InChIKeyORAFXRPIMNAPTG-UHFFFAOYSA-N
MW438.49 g/mol
LogP6.30
Rot. Bonds8

About 4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline

4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline (PubChem CID 12763891) has the molecular formula C26H25F3N2O and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline
PubChem CID12763891
Molecular FormulaC26H25F3N2O
Molecular Weight438.49 g/mol
Exact Mass438.19
IUPAC Name4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline
SMILESFc1ccc(OC2=CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H25F3N2O/c27-20-2-8-23(9-3-20)31(24-10-4-21(28)5-11-24)17-1-16-30-18-14-26(15-19-30)32-25-12-6-22(29)7-13-25/h2-14H,1,15-19H2
InChIKeyORAFXRPIMNAPTG-UHFFFAOYSA-N
XLogP6.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline with MolForge

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Related Compounds

2,3-dihydroxybutanedioic acid;4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline
CID 70531043
oxalic acid;N-phenyl-N-[3-[4-[3-(trifluoromethyl)phenoxy]-3,6-dihydro-2H-pyridin-1-yl]propyl]aniline
CID 86738025
but-2-enedioic acid;N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline
CID 70531926
1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine
CID 22752873
(E)-2-[4-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)-1-oxobutan-2-yl]but-2-enedioic acid
CID 70595460
1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol
CID 57238443
1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine
CID 22752871
(E)-2-[1-(4-fluorophenyl)-1-oxo-4-(4-phenoxy-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]but-2-enedioic acid
CID 70595167
(E)-2-[1-(4-fluorophenyl)-4-[4-(4-methylsulfanylphenoxy)-3,6-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]but-2-enedioic acid
CID 70594755
1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine
CID 18794477
ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol
CID 143560345
1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine
CID 91380197

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline?
The IUPAC name of 4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline (CID 12763891) is 4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline?
The canonical SMILES for 4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline is Fc1ccc(OC2=CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline?
The InChIKey is ORAFXRPIMNAPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O/c27-20-2-8-23(9-3-20)31(24-10-4-21(28)5-11-24)17-1-16-30-18-14-26(15-19-30)32-25-12-6-22(29)7-13-25/h2-14H,1,15-19H2.
What are the key properties of 4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline?
4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline has a molecular weight of 438.49 g/mol, XLogP of 6.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 12763891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).