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

C14H18F3NO2 — CID 63740369

IUPACN-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NCC1CCCOC1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)10-20-13-6-2-1-5-12(13)18-8-11-4-3-7-19-9-11/h1-2,5-6,11,18H,3-4,7-10H2
InChIKeyIOPSINLSPCWAAD-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.47
Rot. Bonds5

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

N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 63740369) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID63740369
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NCC1CCCOC1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)10-20-13-6-2-1-5-12(13)18-8-11-4-3-7-19-9-11/h1-2,5-6,11,18H,3-4,7-10H2
InChIKeyIOPSINLSPCWAAD-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 82833696
3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide
CID 63741794
N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 106633280
N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 43191959
N-(oxan-3-ylmethyl)-2-propylaniline
CID 63737543
2-fluoro-6-(oxan-3-ylmethylamino)benzonitrile
CID 61037918
1-[2-(oxan-3-ylmethylamino)phenyl]ethanol
CID 63739863
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
N-(oxan-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 55209485
N-(oxan-3-ylmethyl)-2-propylsulfonylaniline
CID 61020152
3-fluoro-2-nitro-N-(oxan-3-ylmethyl)aniline
CID 61020278
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689188

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (CID 63740369) is N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is FC(F)(F)COc1ccccc1NCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is IOPSINLSPCWAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)10-20-13-6-2-1-5-12(13)18-8-11-4-3-7-19-9-11/h1-2,5-6,11,18H,3-4,7-10H2.
What are the key properties of N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 289.30 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 63740369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).