2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline

C17H28FNO2 — CID 63594054

IUPAC2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline
SMILESCCCCC(CC)COc1cc(OCCC)c(F)cc1N
InChIInChI=1S/C17H28FNO2/c1-4-7-8-13(6-3)12-21-17-11-16(20-9-5-2)14(18)10-15(17)19/h10-11,13H,4-9,12,19H2,1-3H3
InChIKeyAPTYEBARAAFPTO-UHFFFAOYSA-N
MW297.41 g/mol
LogP4.79
Rot. Bonds10

About 2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline

2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline (PubChem CID 63594054) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline
PubChem CID63594054
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC Name2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline
SMILESCCCCC(CC)COc1cc(OCCC)c(F)cc1N
InChIInChI=1S/C17H28FNO2/c1-4-7-8-13(6-3)12-21-17-11-16(20-9-5-2)14(18)10-15(17)19/h10-11,13H,4-9,12,19H2,1-3H3
InChIKeyAPTYEBARAAFPTO-UHFFFAOYSA-N
XLogP4.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 54.79
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

5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064
5-fluoro-2-pentan-2-yloxy-4-propoxyaniline
CID 102980387
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine
CID 43128566
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
CID 103176795
2-(2-ethylhexoxy)-5-methylbenzene-1,4-diamine;4-methylaniline
CID 144669349
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
6-(2-ethylhexoxy)-2-propoxypyridin-3-amine
CID 43262515

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline?
The IUPAC name of 2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline (CID 63594054) is 2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline.
What is the SMILES notation for 2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline?
The canonical SMILES for 2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline is CCCCC(CC)COc1cc(OCCC)c(F)cc1N.
What is the InChIKey of 2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline?
The InChIKey is APTYEBARAAFPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-4-7-8-13(6-3)12-21-17-11-16(20-9-5-2)14(18)10-15(17)19/h10-11,13H,4-9,12,19H2,1-3H3.
What are the key properties of 2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline?
2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline has a molecular weight of 297.41 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline is sourced from PubChem (CID 63594054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).