1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine

C14H12F4N2O — CID 102747370

IUPAC1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H12F4N2O/c1-19-7-9-8-20-5-4-13(9)21-10-2-3-12(15)11(6-10)14(16,17)18/h2-6,8,19H,7H2,1H3
InChIKeyDMZYSFLDTKNJIL-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.75
Rot. Bonds4

About 1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine

1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine (PubChem CID 102747370) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is 1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine
PubChem CID102747370
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H12F4N2O/c1-19-7-9-8-20-5-4-13(9)21-10-2-3-12(15)11(6-10)14(16,17)18/h2-6,8,19H,7H2,1H3
InChIKeyDMZYSFLDTKNJIL-UHFFFAOYSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 102747358
1-[4-(3-fluoro-4-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107170649
1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250713
[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
CID 102746859
1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250426
N-methyl-1-[4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250777
N-[[4-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254260
1-[5-bromo-2-[4-methylsulfanyl-3-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 23378651
5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine
CID 102747925
N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 105075970
3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 102747205
1-[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 81251244

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine (CID 102747370) is 1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine is CNCc1cnccc1Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine?
The InChIKey is DMZYSFLDTKNJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c1-19-7-9-8-20-5-4-13(9)21-10-2-3-12(15)11(6-10)14(16,17)18/h2-6,8,19H,7H2,1H3.
What are the key properties of 1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine?
1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine has a molecular weight of 300.26 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 102747370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).