N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine

C15H17F3N2O — CID 103215964

IUPACN-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1cccc2ncccc12
InChIInChI=1S/C15H17F3N2O/c1-2-19-14(9-21-10-15(16,17)18)12-5-3-7-13-11(12)6-4-8-20-13/h3-8,14,19H,2,9-10H2,1H3
InChIKeySIQMXOQLUBCFFW-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.46
Rot. Bonds6

About N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine

N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215964) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215964
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1cccc2ncccc12
InChIInChI=1S/C15H17F3N2O/c1-2-19-14(9-21-10-15(16,17)18)12-5-3-7-13-11(12)6-4-8-20-13/h3-8,14,19H,2,9-10H2,1H3
InChIKeySIQMXOQLUBCFFW-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215964) is N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)c1cccc2ncccc12.
What is the InChIKey of N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is SIQMXOQLUBCFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-2-19-14(9-21-10-15(16,17)18)12-5-3-7-13-11(12)6-4-8-20-13/h3-8,14,19H,2,9-10H2,1H3.
What are the key properties of N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine?
N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 298.31 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-quinolin-5-yl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).