2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid

C11H13F3N2O2 — CID 117013527

IUPAC2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid
SMILESNCCN(CC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-2-1-3-9(6-8)16(5-4-15)7-10(17)18/h1-3,6H,4-5,7,15H2,(H,17,18)
InChIKeyMRDJCUHDAAHHIQ-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.56
Rot. Bonds5

About 2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid

2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid (PubChem CID 117013527) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid
PubChem CID117013527
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid
SMILESNCCN(CC(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-2-1-3-9(6-8)16(5-4-15)7-10(17)18/h1-3,6H,4-5,7,15H2,(H,17,18)
InChIKeyMRDJCUHDAAHHIQ-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

2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
N'-prop-2-ynyl-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 151849646
2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid
CID 21131513
2-[N-(2-aminoethyl)-3-methoxycarbonylanilino]acetic acid
CID 117013532
2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid
CID 117013526
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)anilino]acetic acid
CID 69067890
2-[N-(2-fluoroethyl)anilino]acetic acid
CID 80695763
2-[N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566938
2-[N-[2-(trifluoromethylsulfanyl)ethyl]anilino]acetic acid
CID 116616747
2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid
CID 55136889
2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
CID 167921207
2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
CID 86061923

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid (CID 117013527) is 2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid is NCCN(CC(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid?
The InChIKey is MRDJCUHDAAHHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)8-2-1-3-9(6-8)16(5-4-15)7-10(17)18/h1-3,6H,4-5,7,15H2,(H,17,18).
What are the key properties of 2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid?
2-[N-(2-aminoethyl)-3-(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)-3-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 117013527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).