2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid

C18H20FNO3 — CID 46991340

IUPAC2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid
SMILESCc1cc(C(C(=O)O)N(C)CCOc2ccccc2)ccc1F
InChIInChI=1S/C18H20FNO3/c1-13-12-14(8-9-16(13)19)17(18(21)22)20(2)10-11-23-15-6-4-3-5-7-15/h3-9,12,17H,10-11H2,1-2H3,(H,21,22)
InChIKeyUTQGOANEWNUOQC-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.27
Rot. Bonds7

About 2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid

2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid (PubChem CID 46991340) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid
PubChem CID46991340
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid
SMILESCc1cc(C(C(=O)O)N(C)CCOc2ccccc2)ccc1F
InChIInChI=1S/C18H20FNO3/c1-13-12-14(8-9-16(13)19)17(18(21)22)20(2)10-11-23-15-6-4-3-5-7-15/h3-9,12,17H,10-11H2,1-2H3,(H,21,22)
InChIKeyUTQGOANEWNUOQC-UHFFFAOYSA-N
XLogP3.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid (CID 46991340) is 2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid is Cc1cc(C(C(=O)O)N(C)CCOc2ccccc2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid?
The InChIKey is UTQGOANEWNUOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-13-12-14(8-9-16(13)19)17(18(21)22)20(2)10-11-23-15-6-4-3-5-7-15/h3-9,12,17H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid?
2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid has a molecular weight of 317.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetic acid is sourced from PubChem (CID 46991340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).