1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine

C11H14F3NO2 — CID 84706950

IUPAC1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc(C(F)(F)F)c(C(C)N)c1OC
InChIInChI=1S/C11H14F3NO2/c1-6(15)9-7(11(12,13)14)4-5-8(16-2)10(9)17-3/h4-6H,15H2,1-3H3
InChIKeyPHSGDFGFZPXSST-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.74
Rot. Bonds3

About 1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine

1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine (PubChem CID 84706950) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine
PubChem CID84706950
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc(C(F)(F)F)c(C(C)N)c1OC
InChIInChI=1S/C11H14F3NO2/c1-6(15)9-7(11(12,13)14)4-5-8(16-2)10(9)17-3/h4-6H,15H2,1-3H3
InChIKeyPHSGDFGFZPXSST-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]acetic acid
CID 117447457
methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117474610
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 131503753
1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 84706946
(1S)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171234263
1,1,1-trifluoro-3-methyl-3-(2,3,4-trimethoxyphenyl)butan-2-amine
CID 132588707
1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine
CID 117317113
1-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 55272050
1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine
CID 84671370
3-methoxy-6-(trifluoromethyl)benzene-1,2-diol
CID 84675773
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine (CID 84706950) is 1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine is COc1ccc(C(F)(F)F)c(C(C)N)c1OC.
What is the InChIKey of 1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is PHSGDFGFZPXSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-6(15)9-7(11(12,13)14)4-5-8(16-2)10(9)17-3/h4-6H,15H2,1-3H3.
What are the key properties of 1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine?
1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 249.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 84706950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).