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

C11H16FNO3 — CID 63593955

IUPAC4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
SMILESCCOc1cc(OCCOC)c(N)cc1F
InChIInChI=1S/C11H16FNO3/c1-3-15-10-7-11(16-5-4-14-2)9(13)6-8(10)12/h6-7H,3-5,13H2,1-2H3
InChIKeyXMKJHSAKSRGRIT-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.83
Rot. Bonds6

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

4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline (PubChem CID 63593955) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
PubChem CID63593955
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
SMILESCCOc1cc(OCCOC)c(N)cc1F
InChIInChI=1S/C11H16FNO3/c1-3-15-10-7-11(16-5-4-14-2)9(13)6-8(10)12/h6-7H,3-5,13H2,1-2H3
InChIKeyXMKJHSAKSRGRIT-UHFFFAOYSA-N
XLogP1.83
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
CID 103176795
4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
CID 63593249
2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline
CID 102739879
4-ethoxy-5-fluoro-2-N-[2-(2-methoxyethoxy)ethyl]benzene-1,2-diamine
CID 63594479
2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
CID 79679930
4-ethoxy-5-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 63594299
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
4-(3,3-dimethylbutoxy)-5-fluoro-2-methoxyaniline
CID 107259923

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline?
The IUPAC name of 4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline (CID 63593955) is 4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline?
The canonical SMILES for 4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline is CCOc1cc(OCCOC)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline?
The InChIKey is XMKJHSAKSRGRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-3-15-10-7-11(16-5-4-14-2)9(13)6-8(10)12/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline?
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline has a molecular weight of 229.25 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline is sourced from PubChem (CID 63593955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).