N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride

C12H16ClF3N2O3 — CID 119382771

IUPACN-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
SMILESCl.NCCNC(=O)COc1ccccc1OCC(F)(F)F
InChIInChI=1S/C12H15F3N2O3.ClH/c13-12(14,15)8-20-10-4-2-1-3-9(10)19-7-11(18)17-6-5-16;/h1-4H,5-8,16H2,(H,17,18);1H
InChIKeyYXFHKOGWGISXRC-UHFFFAOYSA-N
MW328.72 g/mol
LogP1.50
Rot. Bonds7

About N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride

N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride (PubChem CID 119382771) has the molecular formula C12H16ClF3N2O3 and a molecular weight of 328.72 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
PubChem CID119382771
Molecular FormulaC12H16ClF3N2O3
Molecular Weight328.72 g/mol
Exact Mass328.08
IUPAC NameN-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
SMILESCl.NCCNC(=O)COc1ccccc1OCC(F)(F)F
InChIInChI=1S/C12H15F3N2O3.ClH/c13-12(14,15)8-20-10-4-2-1-3-9(10)19-7-11(18)17-6-5-16;/h1-4H,5-8,16H2,(H,17,18);1H
InChIKeyYXFHKOGWGISXRC-UHFFFAOYSA-N
XLogP1.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 120830158
N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119565633
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492340
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561
N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102980804
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
N-[2-(2-methoxyphenoxy)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46546443
(2S)-3-phenyl-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetyl]amino]propanoic acid
CID 119366611
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
2-(2-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732878
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride (CID 119382771) is N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride is Cl.NCCNC(=O)COc1ccccc1OCC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
The InChIKey is YXFHKOGWGISXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3.ClH/c13-12(14,15)8-20-10-4-2-1-3-9(10)19-7-11(18)17-6-5-16;/h1-4H,5-8,16H2,(H,17,18);1H.
What are the key properties of N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride?
N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride has a molecular weight of 328.72 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119382771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).