8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine

C15H19FN2O — CID 133368255

IUPAC8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine
SMILESCOC(C)(C)CNc1cc(C)nc2c(F)cccc12
InChIInChI=1S/C15H19FN2O/c1-10-8-13(17-9-15(2,3)19-4)11-6-5-7-12(16)14(11)18-10/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyXZYDBBIEVRGXPA-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.52
Rot. Bonds4

About 8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine

8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine (PubChem CID 133368255) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine
PubChem CID133368255
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine
SMILESCOC(C)(C)CNc1cc(C)nc2c(F)cccc12
InChIInChI=1S/C15H19FN2O/c1-10-8-13(17-9-15(2,3)19-4)11-6-5-7-12(16)14(11)18-10/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyXZYDBBIEVRGXPA-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine?
The IUPAC name of 8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine (CID 133368255) is 8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine.
What is the SMILES notation for 8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine?
The canonical SMILES for 8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine is COC(C)(C)CNc1cc(C)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine?
The InChIKey is XZYDBBIEVRGXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10-8-13(17-9-15(2,3)19-4)11-6-5-7-12(16)14(11)18-10/h5-8H,9H2,1-4H3,(H,17,18).
What are the key properties of 8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine?
8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine has a molecular weight of 262.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 133368255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).