2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide

C13H17F3N2O2 — CID 61388884

IUPAC2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-3-6-18-12(19)8(2)20-11-5-4-9(17)7-10(11)13(14,15)16/h4-5,7-8H,3,6,17H2,1-2H3,(H,18,19)
InChIKeyWBJYAPDUULLFGZ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.58
Rot. Bonds5

About 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide

2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide (PubChem CID 61388884) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide
PubChem CID61388884
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-3-6-18-12(19)8(2)20-11-5-4-9(17)7-10(11)13(14,15)16/h4-5,7-8H,3,6,17H2,1-2H3,(H,18,19)
InChIKeyWBJYAPDUULLFGZ-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-2-(trifluoromethyl)phenoxy]-N,N-diethylpropanamide
CID 61389463
2-(4-amino-2-cyanophenoxy)-N-propylpropanamide
CID 61268838
2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide
CID 63320637
ethyl 2-[4-amino-2-(trifluoromethyl)phenoxy]pentanoate
CID 83037158
5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide
CID 106956230
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
CID 61389475
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide
CID 61269021
2-[4-(hydroxymethyl)-2-(trifluoromethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 63320537
2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide
CID 112699627
(2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide
CID 98132560

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide?
The IUPAC name of 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide (CID 61388884) is 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide?
The InChIKey is WBJYAPDUULLFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-6-18-12(19)8(2)20-11-5-4-9(17)7-10(11)13(14,15)16/h4-5,7-8H,3,6,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide?
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide has a molecular weight of 290.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide is sourced from PubChem (CID 61388884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).