N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline

C13H18F3NO — CID 29300715

IUPACN-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
SMILESCCC(CC)CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-10(4-2)9-17-11-7-5-6-8-12(11)18-13(14,15)16/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyGLCJKNPMVYUZRT-UHFFFAOYSA-N
MW261.29 g/mol
LogP4.43
Rot. Bonds6

About N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline

N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline (PubChem CID 29300715) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
PubChem CID29300715
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
SMILESCCC(CC)CNc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-10(4-2)9-17-11-7-5-6-8-12(11)18-13(14,15)16/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyGLCJKNPMVYUZRT-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192902
1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 22675955
ethyl 3-hydroxy-4-[2-(trifluoromethoxy)anilino]butanoate
CID 103233505
2-[2-(trifluoromethoxy)anilino]butanoic acid
CID 64668144
N-(2-propan-2-ylsulfonylethyl)-2-(trifluoromethoxy)aniline
CID 106723037
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534
N-(1-cyclopropylpropyl)-2-(trifluoromethoxy)aniline
CID 64920294
N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline
CID 43105351

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline?
The IUPAC name of N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline (CID 29300715) is N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline is CCC(CC)CNc1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline?
The InChIKey is GLCJKNPMVYUZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-10(4-2)9-17-11-7-5-6-8-12(11)18-13(14,15)16/h5-8,10,17H,3-4,9H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline?
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline has a molecular weight of 261.29 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 29300715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).