2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid

C15H22FNO3 — CID 64854881

IUPAC2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)Oc1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C15H22FNO3/c1-5-17-15(4,14(18)19)9-11(3)20-13-8-10(2)6-7-12(13)16/h6-8,11,17H,5,9H2,1-4H3,(H,18,19)
InChIKeyXIYXWVJEBFZRSG-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.74
Rot. Bonds7

About 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid

2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid (PubChem CID 64854881) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid
PubChem CID64854881
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)Oc1cc(C)ccc1F)C(=O)O
InChIInChI=1S/C15H22FNO3/c1-5-17-15(4,14(18)19)9-11(3)20-13-8-10(2)6-7-12(13)16/h6-8,11,17H,5,9H2,1-4H3,(H,18,19)
InChIKeyXIYXWVJEBFZRSG-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid?
The IUPAC name of 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid (CID 64854881) is 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid?
The canonical SMILES for 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid is CCNC(C)(CC(C)Oc1cc(C)ccc1F)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid?
The InChIKey is XIYXWVJEBFZRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-5-17-15(4,14(18)19)9-11(3)20-13-8-10(2)6-7-12(13)16/h6-8,11,17H,5,9H2,1-4H3,(H,18,19).
What are the key properties of 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid?
2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid has a molecular weight of 283.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanoic acid is sourced from PubChem (CID 64854881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).