5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol

C17H20FNO2 — CID 59191320

IUPAC5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol
SMILESCCCNc1ccc(Oc2ccc(CC)cc2O)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-3-9-19-13-6-8-16(14(18)11-13)21-17-7-5-12(4-2)10-15(17)20/h5-8,10-11,19-20H,3-4,9H2,1-2H3
InChIKeyIFHBIDMUWHNCKB-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.71
Rot. Bonds6

About 5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol

5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol (PubChem CID 59191320) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol.

Molecular Properties

Compound Name5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol
PubChem CID59191320
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol
SMILESCCCNc1ccc(Oc2ccc(CC)cc2O)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-3-9-19-13-6-8-16(14(18)11-13)21-17-7-5-12(4-2)10-15(17)20/h5-8,10-11,19-20H,3-4,9H2,1-2H3
InChIKeyIFHBIDMUWHNCKB-UHFFFAOYSA-N
XLogP4.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol?
The IUPAC name of 5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol (CID 59191320) is 5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol.
What is the SMILES notation for 5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol?
The canonical SMILES for 5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol is CCCNc1ccc(Oc2ccc(CC)cc2O)c(F)c1.
What is the InChIKey of 5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol?
The InChIKey is IFHBIDMUWHNCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-9-19-13-6-8-16(14(18)11-13)21-17-7-5-12(4-2)10-15(17)20/h5-8,10-11,19-20H,3-4,9H2,1-2H3.
What are the key properties of 5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol?
5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol has a molecular weight of 289.35 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol is sourced from PubChem (CID 59191320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).