3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline

C17H20FN3O — CID 118938849

IUPAC3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline
SMILESCc1ccc(N)cc1-c1cc(F)nc(N2CCOCC2C)c1
InChIInChI=1S/C17H20FN3O/c1-11-3-4-14(19)9-15(11)13-7-16(18)20-17(8-13)21-5-6-22-10-12(21)2/h3-4,7-9,12H,5-6,10,19H2,1-2H3
InChIKeyOXSVRGVANFOLFX-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.00
Rot. Bonds2

About 3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline

3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline (PubChem CID 118938849) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline.

Molecular Properties

Compound Name3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline
PubChem CID118938849
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline
SMILESCc1ccc(N)cc1-c1cc(F)nc(N2CCOCC2C)c1
InChIInChI=1S/C17H20FN3O/c1-11-3-4-14(19)9-15(11)13-7-16(18)20-17(8-13)21-5-6-22-10-12(21)2/h3-4,7-9,12H,5-6,10,19H2,1-2H3
InChIKeyOXSVRGVANFOLFX-UHFFFAOYSA-N
XLogP3.00
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline?
The IUPAC name of 3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline (CID 118938849) is 3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline.
What is the SMILES notation for 3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline?
The canonical SMILES for 3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline is Cc1ccc(N)cc1-c1cc(F)nc(N2CCOCC2C)c1.
What is the InChIKey of 3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline?
The InChIKey is OXSVRGVANFOLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11-3-4-14(19)9-15(11)13-7-16(18)20-17(8-13)21-5-6-22-10-12(21)2/h3-4,7-9,12H,5-6,10,19H2,1-2H3.
What are the key properties of 3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline?
3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline has a molecular weight of 301.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline is sourced from PubChem (CID 118938849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).