5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline

C15H24FNO4 — CID 103176795

IUPAC5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
SMILESCCCOc1cc(OCCOCCCOC)c(N)cc1F
InChIInChI=1S/C15H24FNO4/c1-3-5-20-14-11-15(13(17)10-12(14)16)21-9-8-19-7-4-6-18-2/h10-11H,3-9,17H2,1-2H3
InChIKeyGPAYCPWETRWAEA-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.63
Rot. Bonds11

About 5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline

5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline (PubChem CID 103176795) has the molecular formula C15H24FNO4 and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline.

Molecular Properties

Compound Name5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
PubChem CID103176795
Molecular FormulaC15H24FNO4
Molecular Weight301.36 g/mol
Exact Mass301.17
IUPAC Name5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
SMILESCCCOc1cc(OCCOCCCOC)c(N)cc1F
InChIInChI=1S/C15H24FNO4/c1-3-5-20-14-11-15(13(17)10-12(14)16)21-9-8-19-7-4-6-18-2/h10-11H,3-9,17H2,1-2H3
InChIKeyGPAYCPWETRWAEA-UHFFFAOYSA-N
XLogP2.63
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethoxy)aniline
CID 63593955
2-amino-4-fluoro-5-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103403914
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline
CID 63594054
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
CID 107259802
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
5-fluoro-2-pentan-2-yloxy-4-propoxyaniline
CID 102980387

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline?
The IUPAC name of 5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline (CID 103176795) is 5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline.
What is the SMILES notation for 5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline?
The canonical SMILES for 5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline is CCCOc1cc(OCCOCCCOC)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline?
The InChIKey is GPAYCPWETRWAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO4/c1-3-5-20-14-11-15(13(17)10-12(14)16)21-9-8-19-7-4-6-18-2/h10-11H,3-9,17H2,1-2H3.
What are the key properties of 5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline?
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline has a molecular weight of 301.36 g/mol, XLogP of 2.63, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline is sourced from PubChem (CID 103176795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).