2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

C14H18F3NO2 — CID 79266650

IUPAC2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1ccc(C(C)N(CC(=O)O)CC(F)(F)F)c(C)c1
InChIInChI=1S/C14H18F3NO2/c1-9-4-5-12(10(2)6-9)11(3)18(7-13(19)20)8-14(15,16)17/h4-6,11H,7-8H2,1-3H3,(H,19,20)
InChIKeyIDGVHSODUYCSNC-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.31
Rot. Bonds5

About 2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266650) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266650
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1ccc(C(C)N(CC(=O)O)CC(F)(F)F)c(C)c1
InChIInChI=1S/C14H18F3NO2/c1-9-4-5-12(10(2)6-9)11(3)18(7-13(19)20)8-14(15,16)17/h4-6,11H,7-8H2,1-3H3,(H,19,20)
InChIKeyIDGVHSODUYCSNC-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266650) is 2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1ccc(C(C)N(CC(=O)O)CC(F)(F)F)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IDGVHSODUYCSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-9-4-5-12(10(2)6-9)11(3)18(7-13(19)20)8-14(15,16)17/h4-6,11H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 289.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).