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

C11H14F3NO2 — CID 66967533

IUPAC2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
SMILESCCOc1c(CCN)cccc1OC(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-2-16-10-8(6-7-15)4-3-5-9(10)17-11(12,13)14/h3-5H,2,6-7,15H2,1H3
InChIKeyWMKGZBHOQZCUFO-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.49
Rot. Bonds5

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

2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 66967533) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
PubChem CID66967533
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
SMILESCCOc1c(CCN)cccc1OC(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-2-16-10-8(6-7-15)4-3-5-9(10)17-11(12,13)14/h3-5H,2,6-7,15H2,1H3
InChIKeyWMKGZBHOQZCUFO-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
CID 60905803
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
CID 65095267
1-(3-bromopropyl)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 118818980
ethyl 3-[2-methoxy-3-(trifluoromethoxy)phenyl]propanoate
CID 134632476
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689
2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119022722
2-ethoxy-3-(trifluoromethoxy)benzoate
CID 170681949
2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine
CID 65476906

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine (CID 66967533) is 2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine is CCOc1c(CCN)cccc1OC(F)(F)F.
What is the InChIKey of 2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is WMKGZBHOQZCUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-2-16-10-8(6-7-15)4-3-5-9(10)17-11(12,13)14/h3-5H,2,6-7,15H2,1H3.
What are the key properties of 2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine?
2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 249.23 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 66967533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).