2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid

C16H24FNO3 — CID 64854490

IUPAC2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid
SMILESCCNC(C)(CCCCOc1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C16H24FNO3/c1-4-18-16(3,15(19)20)9-5-6-10-21-14-11-12(2)7-8-13(14)17/h7-8,11,18H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyHGJJNWUUQNTSIM-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.14
Rot. Bonds9

About 2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid

2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid (PubChem CID 64854490) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid
PubChem CID64854490
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid
SMILESCCNC(C)(CCCCOc1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C16H24FNO3/c1-4-18-16(3,15(19)20)9-5-6-10-21-14-11-12(2)7-8-13(14)17/h7-8,11,18H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyHGJJNWUUQNTSIM-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid?
The IUPAC name of 2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid (CID 64854490) is 2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid.
What is the SMILES notation for 2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid?
The canonical SMILES for 2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid is CCNC(C)(CCCCOc1cc(C)ccc1F)C(=O)O.
What is the InChIKey of 2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid?
The InChIKey is HGJJNWUUQNTSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-4-18-16(3,15(19)20)9-5-6-10-21-14-11-12(2)7-8-13(14)17/h7-8,11,18H,4-6,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid?
2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid has a molecular weight of 297.37 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid is sourced from PubChem (CID 64854490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).