4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline

C16H17F2NO3 — CID 58022064

IUPAC4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline
SMILESCCOc1cc(F)c(N)cc1OCc1c(F)cccc1OC
InChIInChI=1S/C16H17F2NO3/c1-3-21-15-7-12(18)13(19)8-16(15)22-9-10-11(17)5-4-6-14(10)20-2/h4-8H,3,9,19H2,1-2H3
InChIKeyCSZMDSHFCSTPFX-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.53
Rot. Bonds6

About 4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline

4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline (PubChem CID 58022064) has the molecular formula C16H17F2NO3 and a molecular weight of 309.31 g/mol. Its IUPAC name is 4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline
PubChem CID58022064
Molecular FormulaC16H17F2NO3
Molecular Weight309.31 g/mol
Exact Mass309.12
IUPAC Name4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline
SMILESCCOc1cc(F)c(N)cc1OCc1c(F)cccc1OC
InChIInChI=1S/C16H17F2NO3/c1-3-21-15-7-12(18)13(19)8-16(15)22-9-10-11(17)5-4-6-14(10)20-2/h4-8H,3,9,19H2,1-2H3
InChIKeyCSZMDSHFCSTPFX-UHFFFAOYSA-N
XLogP3.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline?
The IUPAC name of 4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline (CID 58022064) is 4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline is CCOc1cc(F)c(N)cc1OCc1c(F)cccc1OC.
What is the InChIKey of 4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline?
The InChIKey is CSZMDSHFCSTPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3/c1-3-21-15-7-12(18)13(19)8-16(15)22-9-10-11(17)5-4-6-14(10)20-2/h4-8H,3,9,19H2,1-2H3.
What are the key properties of 4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline?
4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline has a molecular weight of 309.31 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-fluoro-5-[(2-fluoro-6-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 58022064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).