3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline

C15H14F3NO2 — CID 43366096

IUPAC3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
SMILESNc1cccc(OCCOc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)11-3-1-5-13(9-11)20-7-8-21-14-6-2-4-12(19)10-14/h1-6,9-10H,7-8,19H2
InChIKeyGUAFSHJJIUSEQR-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.75
Rot. Bonds5

About 3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline

3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline (PubChem CID 43366096) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline.

Molecular Properties

Compound Name3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
PubChem CID43366096
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
SMILESNc1cccc(OCCOc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)11-3-1-5-13(9-11)20-7-8-21-14-6-2-4-12(19)10-14/h1-6,9-10H,7-8,19H2
InChIKeyGUAFSHJJIUSEQR-UHFFFAOYSA-N
XLogP3.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
CID 64768298
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline
CID 69123824
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
4-[3-(trifluoromethyl)phenoxy]butanal
CID 175942247
2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine
CID 65256118
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline?
The IUPAC name of 3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline (CID 43366096) is 3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline.
What is the SMILES notation for 3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline?
The canonical SMILES for 3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline is Nc1cccc(OCCOc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline?
The InChIKey is GUAFSHJJIUSEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)11-3-1-5-13(9-11)20-7-8-21-14-6-2-4-12(19)10-14/h1-6,9-10H,7-8,19H2.
What are the key properties of 3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline?
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline has a molecular weight of 297.28 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline is sourced from PubChem (CID 43366096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).