2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid

C17H18FNO3 — CID 13409478

IUPAC2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid
SMILESCCc1cc(N)c(Oc2ccc(C)cc2CC(=O)O)c(F)c1
InChIInChI=1S/C17H18FNO3/c1-3-11-7-13(18)17(14(19)8-11)22-15-5-4-10(2)6-12(15)9-16(20)21/h4-8H,3,9,19H2,1-2H3,(H,20,21)
InChIKeyANEOVZYWFUIPOP-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.70
Rot. Bonds5

About 2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid

2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid (PubChem CID 13409478) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid
PubChem CID13409478
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid
SMILESCCc1cc(N)c(Oc2ccc(C)cc2CC(=O)O)c(F)c1
InChIInChI=1S/C17H18FNO3/c1-3-11-7-13(18)17(14(19)8-11)22-15-5-4-10(2)6-12(15)9-16(20)21/h4-8H,3,9,19H2,1-2H3,(H,20,21)
InChIKeyANEOVZYWFUIPOP-UHFFFAOYSA-N
XLogP3.70
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid?
The IUPAC name of 2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid (CID 13409478) is 2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid?
The canonical SMILES for 2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid is CCc1cc(N)c(Oc2ccc(C)cc2CC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid?
The InChIKey is ANEOVZYWFUIPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-3-11-7-13(18)17(14(19)8-11)22-15-5-4-10(2)6-12(15)9-16(20)21/h4-8H,3,9,19H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid?
2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid has a molecular weight of 303.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-4-ethyl-6-fluorophenoxy)-5-methylphenyl]acetic acid is sourced from PubChem (CID 13409478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).