4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline

C13H20FNO2 — CID 63594139

IUPAC4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
SMILESCCOc1cc(OCCC(C)C)c(N)cc1F
InChIInChI=1S/C13H20FNO2/c1-4-16-12-8-13(11(15)7-10(12)14)17-6-5-9(2)3/h7-9H,4-6,15H2,1-3H3
InChIKeyKEVOXMNOHJJPIO-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.23
Rot. Bonds6

About 4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline

4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline (PubChem CID 63594139) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
PubChem CID63594139
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
SMILESCCOc1cc(OCCC(C)C)c(N)cc1F
InChIInChI=1S/C13H20FNO2/c1-4-16-12-8-13(11(15)7-10(12)14)17-6-5-9(2)3/h7-9H,4-6,15H2,1-3H3
InChIKeyKEVOXMNOHJJPIO-UHFFFAOYSA-N
XLogP3.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.23
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-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
4-fluoro-5-iodo-2-(3-methylbutoxy)aniline
CID 66100154
4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 63592882
2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
CID 79679930
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
5-fluoro-2-pentan-2-yloxy-4-propoxyaniline
CID 102980387
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-2-ethylsulfanyl-5-fluoroaniline
CID 63592722
1,4-diethoxy-2,5-difluorobenzene
CID 58718970

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline?
The IUPAC name of 4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline (CID 63594139) is 4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline?
The canonical SMILES for 4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline is CCOc1cc(OCCC(C)C)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline?
The InChIKey is KEVOXMNOHJJPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-16-12-8-13(11(15)7-10(12)14)17-6-5-9(2)3/h7-9H,4-6,15H2,1-3H3.
What are the key properties of 4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline?
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline has a molecular weight of 241.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline is sourced from PubChem (CID 63594139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).