N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline

C13H16F3NO — CID 112572842

IUPACN-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline
SMILESCCOC1CC(Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3NO/c1-2-18-12-7-11(8-12)17-10-5-3-4-9(6-10)13(14,15)16/h3-6,11-12,17H,2,7-8H2,1H3
InChIKeyLATVSKHEFMNLMA-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.68
Rot. Bonds4

About N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline

N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline (PubChem CID 112572842) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline
PubChem CID112572842
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline
SMILESCCOC1CC(Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3NO/c1-2-18-12-7-11(8-12)17-10-5-3-4-9(6-10)13(14,15)16/h3-6,11-12,17H,2,7-8H2,1H3
InChIKeyLATVSKHEFMNLMA-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)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

3-chloro-N-(3-ethoxycyclobutyl)aniline
CID 112568351
N-(3-ethoxycyclobutyl)-3-methylsulfanylaniline
CID 112561869
2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103917723
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245
3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 115929864
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511458
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 62975033
(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 7116118
N-(3-ethoxycyclobutyl)quinolin-6-amine
CID 112573906
N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline
CID 112573160
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
CID 115903398
2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 112573937

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline (CID 112572842) is N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline is CCOC1CC(Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline?
The InChIKey is LATVSKHEFMNLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-2-18-12-7-11(8-12)17-10-5-3-4-9(6-10)13(14,15)16/h3-6,11-12,17H,2,7-8H2,1H3.
What are the key properties of N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline?
N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline has a molecular weight of 259.27 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 112572842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).