4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline

C15H16FNO3 — CID 107259770

IUPAC4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
SMILESCCOc1ccccc1Oc1cc(OC)c(N)cc1F
InChIInChI=1S/C15H16FNO3/c1-3-19-12-6-4-5-7-13(12)20-14-9-15(18-2)11(17)8-10(14)16/h4-9H,3,17H2,1-2H3
InChIKeyTWBBMUVCRSKXRF-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.61
Rot. Bonds5

About 4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline

4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline (PubChem CID 107259770) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
PubChem CID107259770
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
SMILESCCOc1ccccc1Oc1cc(OC)c(N)cc1F
InChIInChI=1S/C15H16FNO3/c1-3-19-12-6-4-5-7-13(12)20-14-9-15(18-2)11(17)8-10(14)16/h4-9H,3,17H2,1-2H3
InChIKeyTWBBMUVCRSKXRF-UHFFFAOYSA-N
XLogP3.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
CID 107259802
2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide
CID 107259815
4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
CID 64853412
[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
CID 28966043
2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
CID 63817515
5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline
CID 63599659
2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide
CID 107259866
4-ethoxy-5-fluoro-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 63592499
2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline
CID 63593248
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
2-(2-ethoxyphenoxy)-4-methylaniline
CID 26189556

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline?
The IUPAC name of 4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline (CID 107259770) is 4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline?
The canonical SMILES for 4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline is CCOc1ccccc1Oc1cc(OC)c(N)cc1F.
What is the InChIKey of 4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline?
The InChIKey is TWBBMUVCRSKXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-3-19-12-6-4-5-7-13(12)20-14-9-15(18-2)11(17)8-10(14)16/h4-9H,3,17H2,1-2H3.
What are the key properties of 4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline?
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline has a molecular weight of 277.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline is sourced from PubChem (CID 107259770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).