[3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine

C15H15F3N2O — CID 66328112

IUPAC[3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H15F3N2O/c1-9-5-11(8-19)6-10(2)14(9)21-13-7-12(3-4-20-13)15(16,17)18/h3-7H,8,19H2,1-2H3
InChIKeyIUEPSOUUDUIXBA-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.97
Rot. Bonds3

About [3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine

[3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine (PubChem CID 66328112) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is [3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
PubChem CID66328112
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name[3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H15F3N2O/c1-9-5-11(8-19)6-10(2)14(9)21-13-7-12(3-4-20-13)15(16,17)18/h3-7H,8,19H2,1-2H3
InChIKeyIUEPSOUUDUIXBA-UHFFFAOYSA-N
XLogP3.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 65472714
[4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine
CID 107875396
2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 83133978
[3,5-dimethyl-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 65471008
[3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine
CID 65471579
3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine
CID 66328310
[4-(5-fluoropyrimidin-2-yl)oxy-3,5-dimethylphenyl]methanamine
CID 113432166
N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 66328458
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782
5-bromo-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 66330854
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 66328057
2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 141360460

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The IUPAC name of [3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine (CID 66328112) is [3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The canonical SMILES for [3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine is Cc1cc(CN)cc(C)c1Oc1cc(C(F)(F)F)ccn1.
What is the InChIKey of [3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The InChIKey is IUEPSOUUDUIXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-9-5-11(8-19)6-10(2)14(9)21-13-7-12(3-4-20-13)15(16,17)18/h3-7H,8,19H2,1-2H3.
What are the key properties of [3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
[3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine has a molecular weight of 296.29 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine is sourced from PubChem (CID 66328112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).