pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine

C14H13F3N2O — CID 70393208

IUPACpyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESNC(c1cccnc1)c1ccccc1OCC(F)(F)F
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)9-20-12-6-2-1-5-11(12)13(18)10-4-3-7-19-8-10/h1-8,13H,9,18H2
InChIKeyPXOHGKMIVYIVLW-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.07
Rot. Bonds4

About pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine

pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine (PubChem CID 70393208) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine.

Molecular Properties

Compound Namepyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine
PubChem CID70393208
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Namepyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESNC(c1cccnc1)c1ccccc1OCC(F)(F)F
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)9-20-12-6-2-1-5-11(12)13(18)10-4-3-7-19-8-10/h1-8,13H,9,18H2
InChIKeyPXOHGKMIVYIVLW-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 70392473
1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214655
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459
2-pyridin-3-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117241260
(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 58087491
(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The IUPAC name of pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine (CID 70393208) is pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine.
What is the SMILES notation for pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The canonical SMILES for pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine is NC(c1cccnc1)c1ccccc1OCC(F)(F)F.
What is the InChIKey of pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The InChIKey is PXOHGKMIVYIVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)9-20-12-6-2-1-5-11(12)13(18)10-4-3-7-19-8-10/h1-8,13H,9,18H2.
What are the key properties of pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine?
pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine has a molecular weight of 282.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine is sourced from PubChem (CID 70393208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).