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

C14H13F3N2O — CID 106907819

IUPAC[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)10-3-1-6-13(7-10)20-9-12-5-2-4-11(8-18)19-12/h1-7H,8-9,18H2
InChIKeyLGUFQXFHIOIHSY-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.14
Rot. Bonds4

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

[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine (PubChem CID 106907819) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is [6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
PubChem CID106907819
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)10-3-1-6-13(7-10)20-9-12-5-2-4-11(8-18)19-12/h1-7H,8-9,18H2
InChIKeyLGUFQXFHIOIHSY-UHFFFAOYSA-N
XLogP3.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine
CID 18974771
1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216049
[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908576
2-[[3-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine
CID 117255739
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-triazol-4-amine
CID 117214169
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79230468
N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine
CID 79251088
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine
CID 117191481
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120

Frequently Asked Questions

What is the IUPAC name of [6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine (CID 106907819) is [6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine is NCc1cccc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of [6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine?
The InChIKey is LGUFQXFHIOIHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)10-3-1-6-13(7-10)20-9-12-5-2-4-11(8-18)19-12/h1-7H,8-9,18H2.
What are the key properties of [6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine?
[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine has a molecular weight of 282.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106907819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).