3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid

C17H16F3NO2 — CID 24825494

IUPAC3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)14-6-1-13(2-7-14)11-21-15-8-3-12(4-9-15)5-10-16(22)23/h1-4,6-9,21H,5,10-11H2,(H,22,23)
InChIKeySQXQHUHCRHLYIL-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.33
Rot. Bonds6

About 3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid

3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid (PubChem CID 24825494) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid
PubChem CID24825494
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)14-6-1-13(2-7-14)11-21-15-8-3-12(4-9-15)5-10-16(22)23/h1-4,6-9,21H,5,10-11H2,(H,22,23)
InChIKeySQXQHUHCRHLYIL-UHFFFAOYSA-N
XLogP4.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid (CID 24825494) is 3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid is O=C(O)CCc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid?
The InChIKey is SQXQHUHCRHLYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)14-6-1-13(2-7-14)11-21-15-8-3-12(4-9-15)5-10-16(22)23/h1-4,6-9,21H,5,10-11H2,(H,22,23).
What are the key properties of 3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid?
3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid has a molecular weight of 323.31 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid is sourced from PubChem (CID 24825494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).