1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol

C12H16F3NO3 — CID 10446305

IUPAC1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(OC)c1C(F)(F)F
InChIInChI=1S/C12H16F3NO3/c1-16-6-8(17)7-4-5-9(18-2)11(19-3)10(7)12(13,14)15/h4-5,8,16-17H,6H2,1-3H3
InChIKeyVAXFYKXMVWAYJE-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.98
Rot. Bonds5

About 1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol

1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol (PubChem CID 10446305) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
PubChem CID10446305
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(OC)c1C(F)(F)F
InChIInChI=1S/C12H16F3NO3/c1-16-6-8(17)7-4-5-9(18-2)11(19-3)10(7)12(13,14)15/h4-5,8,16-17H,6H2,1-3H3
InChIKeyVAXFYKXMVWAYJE-UHFFFAOYSA-N
XLogP1.98
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol (CID 10446305) is 1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1ccc(OC)c(OC)c1C(F)(F)F.
What is the InChIKey of 1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol?
The InChIKey is VAXFYKXMVWAYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c1-16-6-8(17)7-4-5-9(18-2)11(19-3)10(7)12(13,14)15/h4-5,8,16-17H,6H2,1-3H3.
What are the key properties of 1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol?
1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol has a molecular weight of 279.26 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethoxy-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 10446305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).