2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid

C11H13F3N2O2 — CID 117013526

IUPAC2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid
SMILESNCCN(CC(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-3-1-2-4-9(8)16(6-5-15)7-10(17)18/h1-4H,5-7,15H2,(H,17,18)
InChIKeyROKVYIPTAAVYHL-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.56
Rot. Bonds5

About 2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid

2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid (PubChem CID 117013526) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid
PubChem CID117013526
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid
SMILESNCCN(CC(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-3-1-2-4-9(8)16(6-5-15)7-10(17)18/h1-4H,5-7,15H2,(H,17,18)
InChIKeyROKVYIPTAAVYHL-UHFFFAOYSA-N
XLogP1.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 55218520
2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid
CID 117013527
2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
CID 80696045
N'-ethyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62313462
3-[N-(2-aminoethyl)-2-fluoroanilino]propanoic acid
CID 117013428
N'-phenyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62313283
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010
2-[N-(carboxymethyl)-2-sulfanylanilino]acetic acid
CID 23422801
phenyl-[2-(trifluoromethyl)phenyl]carbamic acid
CID 66619011
2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid
CID 117013506
2-[4-cyano-N-propyl-2-(trifluoromethyl)anilino]acetic acid
CID 122051561
2-[N-(2-fluoroethyl)anilino]acetic acid
CID 80695763

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid (CID 117013526) is 2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid is NCCN(CC(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid?
The InChIKey is ROKVYIPTAAVYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)8-3-1-2-4-9(8)16(6-5-15)7-10(17)18/h1-4H,5-7,15H2,(H,17,18).
What are the key properties of 2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid?
2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid has a molecular weight of 262.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 117013526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).