4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline

C15H15F2NO2 — CID 64853412

IUPAC4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
SMILESCCOc1cc(Oc2cc(C)ccc2F)c(N)cc1F
InChIInChI=1S/C15H15F2NO2/c1-3-19-13-8-15(12(18)7-11(13)17)20-14-6-9(2)4-5-10(14)16/h4-8H,3,18H2,1-2H3
InChIKeyHBRJDOGQAAVXRS-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.05
Rot. Bonds4

About 4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline

4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline (PubChem CID 64853412) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
PubChem CID64853412
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
SMILESCCOc1cc(Oc2cc(C)ccc2F)c(N)cc1F
InChIInChI=1S/C15H15F2NO2/c1-3-19-13-8-15(12(18)7-11(13)17)20-14-6-9(2)4-5-10(14)16/h4-8H,3,18H2,1-2H3
InChIKeyHBRJDOGQAAVXRS-UHFFFAOYSA-N
XLogP4.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.05
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

2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline
CID 63593248
2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline
CID 63591823
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propoxyaniline
CID 63593727
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline
CID 114671713
2-(2-ethoxyphenoxy)-4-methylaniline
CID 26189556
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-(2-fluoro-5-methylphenoxy)-5-iodoaniline
CID 66080579
2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
CID 63598602
2-N-(2,4-dimethylphenyl)-4-ethoxy-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 63594129
4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
CID 63593249
2-(2,5-difluorophenoxy)-5-methylaniline
CID 63269185

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline?
The IUPAC name of 4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline (CID 64853412) is 4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline?
The canonical SMILES for 4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline is CCOc1cc(Oc2cc(C)ccc2F)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline?
The InChIKey is HBRJDOGQAAVXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-3-19-13-8-15(12(18)7-11(13)17)20-14-6-9(2)4-5-10(14)16/h4-8H,3,18H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline?
4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline has a molecular weight of 279.29 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline is sourced from PubChem (CID 64853412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).