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

C19H15F3N2O2 — CID 122516838

IUPAC[2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(Oc3ccccc3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)17-9-13(12-23)10-18(24-17)26-16-8-4-7-15(11-16)25-14-5-2-1-3-6-14/h1-11H,12,23H2
InChIKeyTYKKVMXTDTXEFH-UHFFFAOYSA-N
MW360.34 g/mol
LogP5.14
Rot. Bonds5

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

[2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 122516838) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is [2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID122516838
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name[2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(Oc3ccccc3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)17-9-13(12-23)10-18(24-17)26-16-8-4-7-15(11-16)25-14-5-2-1-3-6-14/h1-11H,12,23H2
InChIKeyTYKKVMXTDTXEFH-UHFFFAOYSA-N
XLogP5.14
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine (CID 122516838) is [2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1cc(Oc2cccc(Oc3ccccc3)c2)nc(C(F)(F)F)c1.
What is the InChIKey of [2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is TYKKVMXTDTXEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-19(21,22)17-9-13(12-23)10-18(24-17)26-16-8-4-7-15(11-16)25-14-5-2-1-3-6-14/h1-11H,12,23H2.
What are the key properties of [2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine?
[2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 360.34 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenoxyphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 122516838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).