2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol

C16H17F2NO2 — CID 63064811

IUPAC2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
SMILESCCOc1cc(F)ccc1NC(C)c1ccc(F)cc1O
InChIInChI=1S/C16H17F2NO2/c1-3-21-16-9-12(18)5-7-14(16)19-10(2)13-6-4-11(17)8-15(13)20/h4-10,19-20H,3H2,1-2H3
InChIKeyVPVPXMRGKIKJCQ-UHFFFAOYSA-N
MW293.31 g/mol
LogP4.24
Rot. Bonds5

About 2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol

2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol (PubChem CID 63064811) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
PubChem CID63064811
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
SMILESCCOc1cc(F)ccc1NC(C)c1ccc(F)cc1O
InChIInChI=1S/C16H17F2NO2/c1-3-21-16-9-12(18)5-7-14(16)19-10(2)13-6-4-11(17)8-15(13)20/h4-10,19-20H,3H2,1-2H3
InChIKeyVPVPXMRGKIKJCQ-UHFFFAOYSA-N
XLogP4.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107710696
4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
CID 43730123
2-[1-(3-chloro-4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63067302
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730076
2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63066351
2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
CID 43730084
2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43787964
N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730085
2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992858
3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 63064990
2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
CID 63066349

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol (CID 63064811) is 2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol is CCOc1cc(F)ccc1NC(C)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol?
The InChIKey is VPVPXMRGKIKJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-3-21-16-9-12(18)5-7-14(16)19-10(2)13-6-4-11(17)8-15(13)20/h4-10,19-20H,3H2,1-2H3.
What are the key properties of 2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol?
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol has a molecular weight of 293.31 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol is sourced from PubChem (CID 63064811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).