2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine

C13H17F4NO2 — CID 102747527

IUPAC2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
SMILESCCOCCNCCOc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F4NO2/c1-2-19-7-5-18-6-8-20-10-3-4-12(14)11(9-10)13(15,16)17/h3-4,9,18H,2,5-8H2,1H3
InChIKeyFVANBRGHJHIVDE-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.85
Rot. Bonds8

About 2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine

2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine (PubChem CID 102747527) has the molecular formula C13H17F4NO2 and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
PubChem CID102747527
Molecular FormulaC13H17F4NO2
Molecular Weight295.28 g/mol
Exact Mass295.12
IUPAC Name2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
SMILESCCOCCNCCOc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F4NO2/c1-2-19-7-5-18-6-8-20-10-3-4-12(14)11(9-10)13(15,16)17/h3-4,9,18H,2,5-8H2,1H3
InChIKeyFVANBRGHJHIVDE-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
CID 102747534
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 102747179
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine
CID 102747632
N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine
CID 62784360
4-(4-bromobutoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 102747039
2-ethoxy-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62583085
4-(2-ethoxyethoxy)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320848
6-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106710554
N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine
CID 115493382
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
CID 62573018
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine
CID 102747245
N-[2-(3-chloro-4-fluorophenoxy)ethyl]pentan-1-amine
CID 55092971

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine (CID 102747527) is 2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine is CCOCCNCCOc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine?
The InChIKey is FVANBRGHJHIVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO2/c1-2-19-7-5-18-6-8-20-10-3-4-12(14)11(9-10)13(15,16)17/h3-4,9,18H,2,5-8H2,1H3.
What are the key properties of 2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine?
2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine has a molecular weight of 295.28 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine is sourced from PubChem (CID 102747527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).