2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine

C12H16F3NO2 — CID 103643861

IUPAC2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCOCCNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-2-17-7-6-16-9-10-4-3-5-11(8-10)18-12(13,14)15/h3-5,8,16H,2,6-7,9H2,1H3
InChIKeyKGDMXPZYHORVCG-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.71
Rot. Bonds7

About 2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine

2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 103643861) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID103643861
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCOCCNCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-2-17-7-6-16-9-10-4-3-5-11(8-10)18-12(13,14)15/h3-5,8,16H,2,6-7,9H2,1H3
InChIKeyKGDMXPZYHORVCG-UHFFFAOYSA-N
XLogP2.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.71
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-difluoroethoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103081182
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide
CID 106236424
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302851
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol
CID 107267934
N-[[3-(trifluoromethoxy)phenyl]methyl]but-2-yn-1-amine
CID 103868570
2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanesulfonamide
CID 107104428
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 103643861) is 2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine is CCOCCNCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is KGDMXPZYHORVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-2-17-7-6-16-9-10-4-3-5-11(8-10)18-12(13,14)15/h3-5,8,16H,2,6-7,9H2,1H3.
What are the key properties of 2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 103643861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).