[2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine

C24H19FN2O2 — CID 122516228

IUPAC[2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(Oc3ccccc3)c2)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C24H19FN2O2/c25-19-11-9-18(10-12-19)23-13-17(16-26)14-24(27-23)29-22-8-4-7-21(15-22)28-20-5-2-1-3-6-20/h1-15H,16,26H2
InChIKeyUMBYAXDQQPIBEI-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.93
Rot. Bonds6

About [2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine

[2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine (PubChem CID 122516228) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine
PubChem CID122516228
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name[2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(Oc3ccccc3)c2)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C24H19FN2O2/c25-19-11-9-18(10-12-19)23-13-17(16-26)14-24(27-23)29-22-8-4-7-21(15-22)28-20-5-2-1-3-6-20/h1-15H,16,26H2
InChIKeyUMBYAXDQQPIBEI-UHFFFAOYSA-N
XLogP5.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine (CID 122516228) is [2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine is NCc1cc(Oc2cccc(Oc3ccccc3)c2)nc(-c2ccc(F)cc2)c1.
What is the InChIKey of [2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine?
The InChIKey is UMBYAXDQQPIBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c25-19-11-9-18(10-12-19)23-13-17(16-26)14-24(27-23)29-22-8-4-7-21(15-22)28-20-5-2-1-3-6-20/h1-15H,16,26H2.
What are the key properties of [2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine?
[2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine has a molecular weight of 386.43 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6-(3-phenoxyphenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 122516228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).