3-ethoxy-2-fluoro-5-methoxyaniline

C9H12FNO2 — CID 18444807

IUPAC3-ethoxy-2-fluoro-5-methoxyaniline
SMILESCCOc1cc(OC)cc(N)c1F
InChIInChI=1S/C9H12FNO2/c1-3-13-8-5-6(12-2)4-7(11)9(8)10/h4-5H,3,11H2,1-2H3
InChIKeyUNZZRSGTIGWSHG-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.82
Rot. Bonds3

About 3-ethoxy-2-fluoro-5-methoxyaniline

3-ethoxy-2-fluoro-5-methoxyaniline (PubChem CID 18444807) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 3-ethoxy-2-fluoro-5-methoxyaniline.

Molecular Properties

Compound Name3-ethoxy-2-fluoro-5-methoxyaniline
PubChem CID18444807
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name3-ethoxy-2-fluoro-5-methoxyaniline
SMILESCCOc1cc(OC)cc(N)c1F
InChIInChI=1S/C9H12FNO2/c1-3-13-8-5-6(12-2)4-7(11)9(8)10/h4-5H,3,11H2,1-2H3
InChIKeyUNZZRSGTIGWSHG-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.82
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-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164893130
3,5-dimethoxy-2-propylaniline
CID 141261453
3-(3-ethoxyphenoxy)-5-methoxyaniline
CID 80748304
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
2-fluoro-1-(2-fluoroethoxy)-5-methoxy-3-methylbenzene
CID 89017823
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
3,4-diethoxy-2-fluoroaniline
CID 13454492
6-bromo-4-ethoxy-2,3-difluorophenol
CID 84707726
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
1-(2-fluoro-3,5-dimethoxyphenyl)ethanol
CID 117289259
4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-fluoro-5-methoxyaniline?
The IUPAC name of 3-ethoxy-2-fluoro-5-methoxyaniline (CID 18444807) is 3-ethoxy-2-fluoro-5-methoxyaniline.
What is the SMILES notation for 3-ethoxy-2-fluoro-5-methoxyaniline?
The canonical SMILES for 3-ethoxy-2-fluoro-5-methoxyaniline is CCOc1cc(OC)cc(N)c1F.
What is the InChIKey of 3-ethoxy-2-fluoro-5-methoxyaniline?
The InChIKey is UNZZRSGTIGWSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-3-13-8-5-6(12-2)4-7(11)9(8)10/h4-5H,3,11H2,1-2H3.
What are the key properties of 3-ethoxy-2-fluoro-5-methoxyaniline?
3-ethoxy-2-fluoro-5-methoxyaniline has a molecular weight of 185.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-fluoro-5-methoxyaniline is sourced from PubChem (CID 18444807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).