4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline

C13H16F3NO — CID 106199812

IUPAC4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
SMILESNc1ccc(OCCC2CCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-8-10(17)4-5-12(11)18-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7,17H2
InChIKeyYMVKRRXTNPPQFI-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.86
Rot. Bonds4

About 4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline

4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline (PubChem CID 106199812) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
PubChem CID106199812
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
SMILESNc1ccc(OCCC2CCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-8-10(17)4-5-12(11)18-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7,17H2
InChIKeyYMVKRRXTNPPQFI-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyclohexylethoxy)-3-methylaniline
CID 26189992
4-(2-cyclopropylethoxymethyl)-3-(trifluoromethyl)aniline
CID 106199866
4-amino-2-(2-cyclobutylethoxy)benzoic acid
CID 106203435
ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate
CID 106203446
2-(2-cyclobutylethoxy)-5-iodoaniline
CID 106199721
4-(2-ethylsulfonylethoxy)-3-(trifluoromethyl)aniline
CID 61389495
4-(methoxymethoxy)-3-(trifluoromethyl)aniline
CID 65365194
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol
CID 166611039
3-(2-cyclopentylethoxy)-4-(4-methylpiperazin-1-yl)aniline
CID 171547112
3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide
CID 62324537

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline (CID 106199812) is 4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline is Nc1ccc(OCCC2CCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline?
The InChIKey is YMVKRRXTNPPQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-8-10(17)4-5-12(11)18-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7,17H2.
What are the key properties of 4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline?
4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline has a molecular weight of 259.27 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 106199812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).