2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid

C25H24F3NO4 — CID 22679172

IUPAC2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid
SMILESCN(CCC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1)CC(=O)O
InChIInChI=1S/C25H24F3NO4/c1-29(17-24(30)31)16-15-23(18-5-3-2-4-6-18)33-22-13-11-21(12-14-22)32-20-9-7-19(8-10-20)25(26,27)28/h2-14,23H,15-17H2,1H3,(H,30,31)
InChIKeyJMEOOVNBRSEMRG-UHFFFAOYSA-N
MW459.46 g/mol
LogP6.02
Rot. Bonds10

About 2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid

2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid (PubChem CID 22679172) has the molecular formula C25H24F3NO4 and a molecular weight of 459.46 g/mol. Its IUPAC name is 2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid
PubChem CID22679172
Molecular FormulaC25H24F3NO4
Molecular Weight459.46 g/mol
Exact Mass459.17
IUPAC Name2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid
SMILESCN(CCC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1)CC(=O)O
InChIInChI=1S/C25H24F3NO4/c1-29(17-24(30)31)16-15-23(18-5-3-2-4-6-18)33-22-13-11-21(12-14-22)32-20-9-7-19(8-10-20)25(26,27)28/h2-14,23H,15-17H2,1H3,(H,30,31)
InChIKeyJMEOOVNBRSEMRG-UHFFFAOYSA-N
XLogP6.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.46
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]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-[[3-[4-(1,1-difluoroethyl)phenoxy]-3-phenylpropyl]-methylamino]acetic acid
CID 21301133
2-[methyl-[3-phenyl-3-[3-[3-(trifluoromethyl)benzoyl]phenoxy]propyl]amino]acetic acid
CID 18677910
2-[[3-[4-[difluoro-[4-(trifluoromethoxy)phenyl]methyl]phenoxy]-3-(4-fluorophenyl)propyl]-methylamino]acetic acid
CID 87965909
ethyl 2-[[3-(4-methylphenoxy)-3-phenylpropyl]-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate
CID 59941162
2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid
CID 22679241
tetrakis(1-[4-[2-hydroxy-3-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]propoxy]phenyl]ethanone);hydrate
CID 24848584
5-bromo-N,4-dimethyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]penta-2,3-dien-1-amine
CID 88947630
S-[2-(dihydroxyamino)oxyethyl] N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamothioate
CID 89169808
2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid
CID 101120687
(Z)-but-2-enedioic acid;N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 11281720
1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)benzene
CID 12851437
2-[[3-[4-(2,4-dimethylphenoxy)phenoxy]-3-(4-fluorophenyl)propyl]-methylamino]acetic acid
CID 22679239

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid (CID 22679172) is 2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid is CN(CCC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1)CC(=O)O.
What is the InChIKey of 2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid?
The InChIKey is JMEOOVNBRSEMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO4/c1-29(17-24(30)31)16-15-23(18-5-3-2-4-6-18)33-22-13-11-21(12-14-22)32-20-9-7-19(8-10-20)25(26,27)28/h2-14,23H,15-17H2,1H3,(H,30,31).
What are the key properties of 2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid?
2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid has a molecular weight of 459.46 g/mol, XLogP of 6.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid is sourced from PubChem (CID 22679172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).