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

C19H20F3NO2 — CID 21019876

IUPAC2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid
SMILESCN(CCC(c1ccccc1)c1ccc(C(F)(F)F)cc1)CC(=O)O
InChIInChI=1S/C19H20F3NO2/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)
InChIKeyAGGLPUJAMSDHJP-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.24
Rot. Bonds7

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

2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid (PubChem CID 21019876) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid
PubChem CID21019876
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid
SMILESCN(CCC(c1ccccc1)c1ccc(C(F)(F)F)cc1)CC(=O)O
InChIInChI=1S/C19H20F3NO2/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)
InChIKeyAGGLPUJAMSDHJP-UHFFFAOYSA-N
XLogP4.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid (CID 21019876) is 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid is CN(CCC(c1ccccc1)c1ccc(C(F)(F)F)cc1)CC(=O)O.
What is the InChIKey of 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid?
The InChIKey is AGGLPUJAMSDHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25).
What are the key properties of 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid?
2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid has a molecular weight of 351.37 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid is sourced from PubChem (CID 21019876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).