1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol

C15H17F3N2O — CID 70822787

IUPAC1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCc1cc(C(O)CNCC(F)(F)F)c2cccc(C)c2n1
InChIInChI=1S/C15H17F3N2O/c1-9-4-3-5-11-12(6-10(2)20-14(9)11)13(21)7-19-8-15(16,17)18/h3-6,13,19,21H,7-8H2,1-2H3
InChIKeyOSUUFVQSMNIGQA-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.04
Rot. Bonds4

About 1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol

1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 70822787) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID70822787
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCc1cc(C(O)CNCC(F)(F)F)c2cccc(C)c2n1
InChIInChI=1S/C15H17F3N2O/c1-9-4-3-5-11-12(6-10(2)20-14(9)11)13(21)7-19-8-15(16,17)18/h3-6,13,19,21H,7-8H2,1-2H3
InChIKeyOSUUFVQSMNIGQA-UHFFFAOYSA-N
XLogP3.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 70822787) is 1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is Cc1cc(C(O)CNCC(F)(F)F)c2cccc(C)c2n1.
What is the InChIKey of 1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is OSUUFVQSMNIGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-9-4-3-5-11-12(6-10(2)20-14(9)11)13(21)7-19-8-15(16,17)18/h3-6,13,19,21H,7-8H2,1-2H3.
What are the key properties of 1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 298.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-dimethylquinolin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 70822787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).