3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide

C12H15F3N2O2 — CID 63320724

IUPAC3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide
SMILESNCCc1ccc(OCCC(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-7-8(3-5-16)1-2-10(9)19-6-4-11(17)18/h1-2,7H,3-6,16H2,(H2,17,18)
InChIKeyILVQFGWBYYIXDR-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.46
Rot. Bonds6

About 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide

3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 63320724) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide
PubChem CID63320724
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide
SMILESNCCc1ccc(OCCC(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-7-8(3-5-16)1-2-10(9)19-6-4-11(17)18/h1-2,7H,3-6,16H2,(H2,17,18)
InChIKeyILVQFGWBYYIXDR-UHFFFAOYSA-N
XLogP1.46
TPSA78.34 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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanoate
CID 63949541
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate
CID 164576666
2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 63320243
4-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252400
2-[4-but-2-ynoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 63320376
3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide
CID 69353641
3-[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]propanoic acid
CID 175665772
2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 69293709
2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide
CID 63320637
1,5-bis[4-methoxy-3-(trifluoromethyl)phenyl]pentan-3-one
CID 151393915
methyl 3-[4-heptoxy-3-(trifluoromethyl)phenyl]propanoate
CID 143869085

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide (CID 63320724) is 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide is NCCc1ccc(OCCC(N)=O)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is ILVQFGWBYYIXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)9-7-8(3-5-16)1-2-10(9)19-6-4-11(17)18/h1-2,7H,3-6,16H2,(H2,17,18).
What are the key properties of 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide?
3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 63320724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).