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

C14H12ClF3N2O — CID 79874288

IUPAC[2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1ccc(Oc2nc(C(F)(F)F)ccc2CN)c(Cl)c1
InChIInChI=1S/C14H12ClF3N2O/c1-8-2-4-11(10(15)6-8)21-13-9(7-19)3-5-12(20-13)14(16,17)18/h2-6H,7,19H2,1H3
InChIKeyVLUKRUUCAZLHRI-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.31
Rot. Bonds3

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

[2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 79874288) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is [2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID79874288
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name[2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1ccc(Oc2nc(C(F)(F)F)ccc2CN)c(Cl)c1
InChIInChI=1S/C14H12ClF3N2O/c1-8-2-4-11(10(15)6-8)21-13-9(7-19)3-5-12(20-13)14(16,17)18/h2-6H,7,19H2,1H3
InChIKeyVLUKRUUCAZLHRI-UHFFFAOYSA-N
XLogP4.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 107283221
[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391433
[2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869812
[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874080
[2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 64853407
[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873351
2-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]ethanamine
CID 63804026
4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
CID 80880887
acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 171929343
[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507987
[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873485

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 79874288) is [2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is Cc1ccc(Oc2nc(C(F)(F)F)ccc2CN)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is VLUKRUUCAZLHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-8-2-4-11(10(15)6-8)21-13-9(7-19)3-5-12(20-13)14(16,17)18/h2-6H,7,19H2,1H3.
What are the key properties of [2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 316.71 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79874288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).