2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid

C12H14F3NO3 — CID 62541567

IUPAC2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESCOCCNC(C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-19-6-5-16-10(11(17)18)8-3-2-4-9(7-8)12(13,14)15/h2-4,7,10,16H,5-6H2,1H3,(H,17,18)
InChIKeyAHDKKMMWSIJAMS-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.07
Rot. Bonds6

About 2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid

2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 62541567) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
PubChem CID62541567
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESCOCCNC(C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-19-6-5-16-10(11(17)18)8-3-2-4-9(7-8)12(13,14)15/h2-4,7,10,16H,5-6H2,1H3,(H,17,18)
InChIKeyAHDKKMMWSIJAMS-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78913899
(3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane
CID 160866666
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 24903486
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 22309176
(2S)-2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]butylamino]acetic acid
CID 122038559
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 70356145
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
CID 83229877
2-(1,3-benzodioxol-5-yl)-2-(2-methoxyethylamino)acetic acid
CID 62541216
2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84747614
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid (CID 62541567) is 2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid is COCCNC(C(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is AHDKKMMWSIJAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-19-6-5-16-10(11(17)18)8-3-2-4-9(7-8)12(13,14)15/h2-4,7,10,16H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 277.24 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 62541567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).