2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

C12H15F3N2O2 — CID 61492340

IUPAC2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCc1ccccc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-17-11(18)7-19-10-4-2-1-3-9(10)5-6-16/h1-4H,5-8,16H2,(H,17,18)
InChIKeyDXKJEMOQSBNTJF-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.25
Rot. Bonds6

About 2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492340) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492340
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCc1ccccc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-17-11(18)7-19-10-4-2-1-3-9(10)5-6-16/h1-4H,5-8,16H2,(H,17,18)
InChIKeyDXKJEMOQSBNTJF-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492439
2-[2-(2-aminoethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489497
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107698258
N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119382771
2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide
CID 60905403
2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961587
2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962260
3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide
CID 106274772
2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492512
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492473
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 61492340) is 2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is NCCc1ccccc1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DXKJEMOQSBNTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)8-17-11(18)7-19-10-4-2-1-3-9(10)5-6-16/h1-4H,5-8,16H2,(H,17,18).
What are the key properties of 2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).