N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine

C18H15F3N2O2 — CID 68759601

IUPACN-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine
SMILESCCNc1ccc2nc(Oc3cccc(OC(F)(F)F)c3)ccc2c1
InChIInChI=1S/C18H15F3N2O2/c1-2-22-13-7-8-16-12(10-13)6-9-17(23-16)24-14-4-3-5-15(11-14)25-18(19,20)21/h3-11,22H,2H2,1H3
InChIKeyZKYFHTSDTBEEIS-UHFFFAOYSA-N
MW348.32 g/mol
LogP5.36
Rot. Bonds5

About N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine

N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine (PubChem CID 68759601) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine
PubChem CID68759601
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine
SMILESCCNc1ccc2nc(Oc3cccc(OC(F)(F)F)c3)ccc2c1
InChIInChI=1S/C18H15F3N2O2/c1-2-22-13-7-8-16-12(10-13)6-9-17(23-16)24-14-4-3-5-15(11-14)25-18(19,20)21/h3-11,22H,2H2,1H3
InChIKeyZKYFHTSDTBEEIS-UHFFFAOYSA-N
XLogP5.36
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.32
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine?
The IUPAC name of N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine (CID 68759601) is N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine.
What is the SMILES notation for N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine?
The canonical SMILES for N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine is CCNc1ccc2nc(Oc3cccc(OC(F)(F)F)c3)ccc2c1.
What is the InChIKey of N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine?
The InChIKey is ZKYFHTSDTBEEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-2-22-13-7-8-16-12(10-13)6-9-17(23-16)24-14-4-3-5-15(11-14)25-18(19,20)21/h3-11,22H,2H2,1H3.
What are the key properties of N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine?
N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine has a molecular weight of 348.32 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(trifluoromethoxy)phenoxy]quinolin-6-amine is sourced from PubChem (CID 68759601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).