3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline

C13H18F3NO2 — CID 143140222

IUPAC3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline
SMILESCCOC(CC)COc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-3-11(18-4-2)8-19-12-6-9(13(14,15)16)5-10(17)7-12/h5-7,11H,3-4,8,17H2,1-2H3
InChIKeyFEWLGEHSZJFWBT-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.48
Rot. Bonds6

About 3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline

3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline (PubChem CID 143140222) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline
PubChem CID143140222
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline
SMILESCCOC(CC)COc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-3-11(18-4-2)8-19-12-6-9(13(14,15)16)5-10(17)7-12/h5-7,11H,3-4,8,17H2,1-2H3
InChIKeyFEWLGEHSZJFWBT-UHFFFAOYSA-N
XLogP3.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pentoxy-5-(trifluoromethyl)aniline
CID 82995842
3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
CID 82990854
3-(3,3-dimethylbutoxy)-5-(trifluoromethyl)aniline
CID 82994867
2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide
CID 21049544
3-(3-methylbutan-2-yloxy)-5-(trifluoromethyl)aniline
CID 82995171
3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline
CID 102739743
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
3,5-diethoxyaniline
CID 22605063
3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995318
3-(2-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995697
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
1-bromo-3-(2-methylpropoxy)-5-(trifluoromethyl)benzene
CID 169336642

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline (CID 143140222) is 3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline is CCOC(CC)COc1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline?
The InChIKey is FEWLGEHSZJFWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-3-11(18-4-2)8-19-12-6-9(13(14,15)16)5-10(17)7-12/h5-7,11H,3-4,8,17H2,1-2H3.
What are the key properties of 3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline?
3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline has a molecular weight of 277.29 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 143140222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).