3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline

C15H14F3NO2 — CID 82990854

IUPAC3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
SMILESCCOc1ccc(Oc2cc(N)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H14F3NO2/c1-2-20-12-3-5-13(6-4-12)21-14-8-10(15(16,17)18)7-11(19)9-14/h3-9H,2,19H2,1H3
InChIKeyFHFXYMUYPQPRPV-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.48
Rot. Bonds4

About 3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline

3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline (PubChem CID 82990854) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
PubChem CID82990854
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline
SMILESCCOc1ccc(Oc2cc(N)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H14F3NO2/c1-2-20-12-3-5-13(6-4-12)21-14-8-10(15(16,17)18)7-11(19)9-14/h3-9H,2,19H2,1H3
InChIKeyFHFXYMUYPQPRPV-UHFFFAOYSA-N
XLogP4.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.48
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-(3-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995318
3-(2-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995697
3-pentoxy-5-(trifluoromethyl)aniline
CID 82995842
3-(1-ethylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800265
3-(2-ethoxybutoxy)-5-(trifluoromethyl)aniline
CID 143140222
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
3-(3,3-dimethylbutoxy)-5-(trifluoromethyl)aniline
CID 82994867
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
4-(3-amino-5-ethoxyphenoxy)benzamide
CID 80748930
3,5-diethoxyaniline
CID 22605063
2-[4-[4-[2,6-diamino-4-(trifluoromethyl)phenoxy]phenoxy]phenoxy]-5-(trifluoromethyl)benzene-1,3-diamine
CID 141224962
3-[2-[cyclopropyl(methyl)amino]ethoxy]-5-(trifluoromethyl)aniline
CID 102739743

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline (CID 82990854) is 3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline is CCOc1ccc(Oc2cc(N)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline?
The InChIKey is FHFXYMUYPQPRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-2-20-12-3-5-13(6-4-12)21-14-8-10(15(16,17)18)7-11(19)9-14/h3-9H,2,19H2,1H3.
What are the key properties of 3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline?
3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline has a molecular weight of 297.28 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 82990854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).