3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline

C15H14F3NO — CID 82995318

IUPAC3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline
SMILESCCc1cccc(Oc2cc(N)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO/c1-2-10-4-3-5-13(6-10)20-14-8-11(15(16,17)18)7-12(19)9-14/h3-9H,2,19H2,1H3
InChIKeyPIKDMESVFWOGAY-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.64
Rot. Bonds3

About 3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline

3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline (PubChem CID 82995318) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline
PubChem CID82995318
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline
SMILESCCc1cccc(Oc2cc(N)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO/c1-2-10-4-3-5-13(6-10)20-14-8-11(15(16,17)18)7-12(19)9-14/h3-9H,2,19H2,1H3
InChIKeyPIKDMESVFWOGAY-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.64
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

5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
3-(3-ethylphenoxy)-5-propan-2-yloxyaniline
CID 80748281
3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
CID 82990854
3-(2-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995697
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 142071235
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800265
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
2-(3-ethylphenoxy)-6-fluoroaniline
CID 54920607
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
3-(3-chloro-2-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 116688587

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline (CID 82995318) is 3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline is CCc1cccc(Oc2cc(N)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline?
The InChIKey is PIKDMESVFWOGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-2-10-4-3-5-13(6-10)20-14-8-11(15(16,17)18)7-12(19)9-14/h3-9H,2,19H2,1H3.
What are the key properties of 3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline?
3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline has a molecular weight of 281.28 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 82995318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).