N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline

C14H13F3N2O — CID 19844889

IUPACN-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NCc1cccnc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)10-20-13-6-2-1-5-12(13)19-9-11-4-3-7-18-8-11/h1-8,19H,9-10H2
InChIKeyUDLSRCBFEAKREG-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.63
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline

N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 19844889) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID19844889
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC NameN-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NCc1cccnc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)10-20-13-6-2-1-5-12(13)19-9-11-4-3-7-18-8-11/h1-8,19H,9-10H2
InChIKeyUDLSRCBFEAKREG-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (CID 19844889) is N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is FC(F)(F)COc1ccccc1NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is UDLSRCBFEAKREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)10-20-13-6-2-1-5-12(13)19-9-11-4-3-7-18-8-11/h1-8,19H,9-10H2.
What are the key properties of N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 282.27 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 19844889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).