N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine

C15H15F3N2O — CID 80637413

IUPACN-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
SMILESCNCc1cnc(Oc2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C15H15F3N2O/c1-10-7-11(8-19-2)9-20-14(10)21-13-6-4-3-5-12(13)15(16,17)18/h3-7,9,19H,8H2,1-2H3
InChIKeySPRNBFGFRIQDBR-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.92
Rot. Bonds4

About N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine

N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine (PubChem CID 80637413) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
PubChem CID80637413
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
SMILESCNCc1cnc(Oc2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C15H15F3N2O/c1-10-7-11(8-19-2)9-20-14(10)21-13-6-4-3-5-12(13)15(16,17)18/h3-7,9,19H,8H2,1-2H3
InChIKeySPRNBFGFRIQDBR-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 105406518
1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80633834
1-[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635573
1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 106531188
1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635567
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
N-methyl-1-[5-methyl-6-(4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 80635782
N-[[6-(2,3-dimethylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637091
5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104507209
5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 80628878
5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 107087048
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine (CID 80637413) is N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine is CNCc1cnc(Oc2ccccc2C(F)(F)F)c(C)c1.
What is the InChIKey of N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
The InChIKey is SPRNBFGFRIQDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-10-7-11(8-19-2)9-20-14(10)21-13-6-4-3-5-12(13)15(16,17)18/h3-7,9,19H,8H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine has a molecular weight of 296.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 80637413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).