N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline

C13H16F3NO2 — CID 82833696

IUPACN-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NCC1CCCO1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)9-19-12-6-2-1-5-11(12)17-8-10-4-3-7-18-10/h1-2,5-6,10,17H,3-4,7-9H2
InChIKeyNIYXLZVETLOZHR-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.22
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline

N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 82833696) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID82833696
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NCC1CCCO1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)9-19-12-6-2-1-5-11(12)17-8-10-4-3-7-18-10/h1-2,5-6,10,17H,3-4,7-9H2
InChIKeyNIYXLZVETLOZHR-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 63740369
1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 56824446
N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 106633280
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
6-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112857312
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43103022
2-N-(2-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886776
4-N-(2-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857301
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477
2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline
CID 164638358

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (CID 82833696) is N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is FC(F)(F)COc1ccccc1NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is NIYXLZVETLOZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)9-19-12-6-2-1-5-11(12)17-8-10-4-3-7-18-10/h1-2,5-6,10,17H,3-4,7-9H2.
What are the key properties of N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 275.27 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 82833696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).