N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine

C21H21F3N2O2 — CID 68759218

IUPACN-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine
SMILESCCNc1ccc2nc(Oc3ccc(OC(C)C)cc3C(F)(F)F)ccc2c1
InChIInChI=1S/C21H21F3N2O2/c1-4-25-15-6-8-18-14(11-15)5-10-20(26-18)28-19-9-7-16(27-13(2)3)12-17(19)21(22,23)24/h5-13,25H,4H2,1-3H3
InChIKeyAAPFQZLFBAGVHL-UHFFFAOYSA-N
MW390.41 g/mol
LogP6.26
Rot. Bonds6

About N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine

N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine (PubChem CID 68759218) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine
PubChem CID68759218
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine
SMILESCCNc1ccc2nc(Oc3ccc(OC(C)C)cc3C(F)(F)F)ccc2c1
InChIInChI=1S/C21H21F3N2O2/c1-4-25-15-6-8-18-14(11-15)5-10-20(26-18)28-19-9-7-16(27-13(2)3)12-17(19)21(22,23)24/h5-13,25H,4H2,1-3H3
InChIKeyAAPFQZLFBAGVHL-UHFFFAOYSA-N
XLogP6.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine?
The IUPAC name of N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine (CID 68759218) is N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine.
What is the SMILES notation for N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine?
The canonical SMILES for N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine is CCNc1ccc2nc(Oc3ccc(OC(C)C)cc3C(F)(F)F)ccc2c1.
What is the InChIKey of N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine?
The InChIKey is AAPFQZLFBAGVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-4-25-15-6-8-18-14(11-15)5-10-20(26-18)28-19-9-7-16(27-13(2)3)12-17(19)21(22,23)24/h5-13,25H,4H2,1-3H3.
What are the key properties of N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine?
N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine has a molecular weight of 390.41 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-propan-2-yloxy-2-(trifluoromethyl)phenoxy]quinolin-6-amine is sourced from PubChem (CID 68759218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).