2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid

C25H26FNO4 — CID 22679241

IUPAC2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid
SMILESCc1ccc(OC(CCN(C)CC(=O)O)c2ccc(F)cc2)cc1Oc1ccccc1
InChIInChI=1S/C25H26FNO4/c1-18-8-13-22(16-24(18)30-21-6-4-3-5-7-21)31-23(14-15-27(2)17-25(28)29)19-9-11-20(26)12-10-19/h3-13,16,23H,14-15,17H2,1-2H3,(H,28,29)
InChIKeyOXLSBDLKUIZBPY-UHFFFAOYSA-N
MW423.48 g/mol
LogP5.45
Rot. Bonds10

About 2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid

2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid (PubChem CID 22679241) has the molecular formula C25H26FNO4 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid
PubChem CID22679241
Molecular FormulaC25H26FNO4
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid
SMILESCc1ccc(OC(CCN(C)CC(=O)O)c2ccc(F)cc2)cc1Oc1ccccc1
InChIInChI=1S/C25H26FNO4/c1-18-8-13-22(16-24(18)30-21-6-4-3-5-7-21)31-23(14-15-27(2)17-25(28)29)19-9-11-20(26)12-10-19/h3-13,16,23H,14-15,17H2,1-2H3,(H,28,29)
InChIKeyOXLSBDLKUIZBPY-UHFFFAOYSA-N
XLogP5.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]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-(2,4-dimethylphenoxy)phenoxy]-3-(4-fluorophenyl)propyl]-methylamino]acetic acid
CID 22679239
2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid
CID 22679172
2-[[3-[4-[difluoro-[4-(trifluoromethoxy)phenyl]methyl]phenoxy]-3-(4-fluorophenyl)propyl]-methylamino]acetic acid
CID 87965909
2-[[3-[4-(1,1-difluoroethyl)phenoxy]-3-phenylpropyl]-methylamino]acetic acid
CID 21301133
2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid
CID 101120687
2-[methyl-[3-phenyl-3-[3-[3-(trifluoromethyl)benzoyl]phenoxy]propyl]amino]acetic acid
CID 18677910
sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980199
potassium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980198
2-[[3-[4-(1,3-benzodioxol-5-yloxy)phenoxy]-3-(4-chlorophenyl)propyl]-methylamino]acetic acid
CID 22679162
ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate
CID 21019935
ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate
CID 22225835
lithium 2-[[(3S)-3-(3,4-dichlorophenoxy)-3-phenylpropyl]-methylamino]acetate
CID 101120665

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid (CID 22679241) is 2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid is Cc1ccc(OC(CCN(C)CC(=O)O)c2ccc(F)cc2)cc1Oc1ccccc1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid?
The InChIKey is OXLSBDLKUIZBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO4/c1-18-8-13-22(16-24(18)30-21-6-4-3-5-7-21)31-23(14-15-27(2)17-25(28)29)19-9-11-20(26)12-10-19/h3-13,16,23H,14-15,17H2,1-2H3,(H,28,29).
What are the key properties of 2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid?
2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid has a molecular weight of 423.48 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-3-(4-methyl-3-phenoxyphenoxy)propyl]-methylamino]acetic acid is sourced from PubChem (CID 22679241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).