2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

C13H17F3N2O2 — CID 106591468

IUPAC2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCC(C(=O)NCCOCC(F)(F)F)c1cccc(N)c1
InChIInChI=1S/C13H17F3N2O2/c1-9(10-3-2-4-11(17)7-10)12(19)18-5-6-20-8-13(14,15)16/h2-4,7,9H,5-6,8,17H2,1H3,(H,18,19)
InChIKeyOMVXTGWOCDPXDZ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.07
Rot. Bonds6

About 2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (PubChem CID 106591468) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
PubChem CID106591468
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCC(C(=O)NCCOCC(F)(F)F)c1cccc(N)c1
InChIInChI=1S/C13H17F3N2O2/c1-9(10-3-2-4-11(17)7-10)12(19)18-5-6-20-8-13(14,15)16/h2-4,7,9H,5-6,8,17H2,1H3,(H,18,19)
InChIKeyOMVXTGWOCDPXDZ-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (CID 106591468) is 2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is CC(C(=O)NCCOCC(F)(F)F)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The InChIKey is OMVXTGWOCDPXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(10-3-2-4-11(17)7-10)12(19)18-5-6-20-8-13(14,15)16/h2-4,7,9H,5-6,8,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide has a molecular weight of 290.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is sourced from PubChem (CID 106591468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).