N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline

C13H16F3NO2 — CID 112573160

IUPACN-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline
SMILESCCOC1CC(Nc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C13H16F3NO2/c1-2-18-10-7-9(8-10)17-11-5-3-4-6-12(11)19-13(14,15)16/h3-6,9-10,17H,2,7-8H2,1H3
InChIKeyXCFLUUQRHVOHCW-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.56
Rot. Bonds5

About N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline

N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline (PubChem CID 112573160) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline
PubChem CID112573160
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline
SMILESCCOC1CC(Nc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C13H16F3NO2/c1-2-18-10-7-9(8-10)17-11-5-3-4-6-12(11)19-13(14,15)16/h3-6,9-10,17H,2,7-8H2,1H3
InChIKeyXCFLUUQRHVOHCW-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)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

4-bromo-N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline
CID 103193031
2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 112568490
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794
N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline
CID 112572842
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
N-(1-cyclopropylpropyl)-2-(trifluoromethoxy)aniline
CID 64920294
N-(3-ethoxycyclobutyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 112568481
4-[2-(trifluoromethoxy)anilino]oxolan-3-ol
CID 60897536
3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide
CID 112561851
N-cyclohexyl-2-propoxyaniline
CID 43682292

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline?
The IUPAC name of N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline (CID 112573160) is N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline is CCOC1CC(Nc2ccccc2OC(F)(F)F)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline?
The InChIKey is XCFLUUQRHVOHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-18-10-7-9(8-10)17-11-5-3-4-6-12(11)19-13(14,15)16/h3-6,9-10,17H,2,7-8H2,1H3.
What are the key properties of N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline?
N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline has a molecular weight of 275.27 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 112573160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).