2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine

C15H19FN2 — CID 63480563

IUPAC2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine
SMILESCNc1cc(C(C)(C)C)nc2c(F)ccc(C)c12
InChIInChI=1S/C15H19FN2/c1-9-6-7-10(16)14-13(9)11(17-5)8-12(18-14)15(2,3)4/h6-8H,1-5H3,(H,17,18)
InChIKeyRTSAEIVKFHCNKY-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.02
Rot. Bonds1

About 2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine

2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine (PubChem CID 63480563) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine
PubChem CID63480563
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine
SMILESCNc1cc(C(C)(C)C)nc2c(F)ccc(C)c12
InChIInChI=1S/C15H19FN2/c1-9-6-7-10(16)14-13(9)11(17-5)8-12(18-14)15(2,3)4/h6-8H,1-5H3,(H,17,18)
InChIKeyRTSAEIVKFHCNKY-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine?
The IUPAC name of 2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine (CID 63480563) is 2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine is CNc1cc(C(C)(C)C)nc2c(F)ccc(C)c12.
What is the InChIKey of 2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine?
The InChIKey is RTSAEIVKFHCNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-9-6-7-10(16)14-13(9)11(17-5)8-12(18-14)15(2,3)4/h6-8H,1-5H3,(H,17,18).
What are the key properties of 2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine?
2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine has a molecular weight of 246.33 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine is sourced from PubChem (CID 63480563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).