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

C19H15F3N2O — CID 122516950

IUPAC[2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(-c3ccccc3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O/c20-19(21,22)17-9-13(12-23)10-18(24-17)25-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-11H,12,23H2
InChIKeyZEEBGORNQSEQBE-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.02
Rot. Bonds4

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

[2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 122516950) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is [2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID122516950
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name[2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(Oc2cccc(-c3ccccc3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O/c20-19(21,22)17-9-13(12-23)10-18(24-17)25-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-11H,12,23H2
InChIKeyZEEBGORNQSEQBE-UHFFFAOYSA-N
XLogP5.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine (CID 122516950) is [2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1cc(Oc2cccc(-c3ccccc3)c2)nc(C(F)(F)F)c1.
What is the InChIKey of [2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is ZEEBGORNQSEQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c20-19(21,22)17-9-13(12-23)10-18(24-17)25-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-11H,12,23H2.
What are the key properties of [2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine?
[2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 344.34 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenylphenoxy)-6-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 122516950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).