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

C21H19F3N2O — CID 91926587

IUPAC[2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOc1ccc(-c2nc(C(F)(F)F)cc(-c3ccc(C)cc3)c2CN)cc1
InChIInChI=1S/C21H19F3N2O/c1-13-3-5-14(6-4-13)17-11-19(21(22,23)24)26-20(18(17)12-25)15-7-9-16(27-2)10-8-15/h3-11H,12,25H2,1-2H3
InChIKeyJKVUSHAUXUQZAL-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.21
Rot. Bonds4

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

[2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 91926587) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID91926587
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name[2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOc1ccc(-c2nc(C(F)(F)F)cc(-c3ccc(C)cc3)c2CN)cc1
InChIInChI=1S/C21H19F3N2O/c1-13-3-5-14(6-4-13)17-11-19(21(22,23)24)26-20(18(17)12-25)15-7-9-16(27-2)10-8-15/h3-11H,12,25H2,1-2H3
InChIKeyJKVUSHAUXUQZAL-UHFFFAOYSA-N
XLogP5.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-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-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 91926587) is [2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is COc1ccc(-c2nc(C(F)(F)F)cc(-c3ccc(C)cc3)c2CN)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is JKVUSHAUXUQZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c1-13-3-5-14(6-4-13)17-11-19(21(22,23)24)26-20(18(17)12-25)15-7-9-16(27-2)10-8-15/h3-11H,12,25H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 372.39 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 91926587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).