2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine

C15H18F2N2 — CID 63480120

IUPAC2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(F)cc(F)cc12
InChIInChI=1S/C15H18F2N2/c1-5-18-12-8-13(15(2,3)4)19-14-10(12)6-9(16)7-11(14)17/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyRGBGRFUSIOUYBP-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.24
Rot. Bonds2

About 2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine

2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine (PubChem CID 63480120) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine
PubChem CID63480120
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2c(F)cc(F)cc12
InChIInChI=1S/C15H18F2N2/c1-5-18-12-8-13(15(2,3)4)19-14-10(12)6-9(16)7-11(14)17/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyRGBGRFUSIOUYBP-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine?
The IUPAC name of 2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine (CID 63480120) is 2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine is CCNc1cc(C(C)(C)C)nc2c(F)cc(F)cc12.
What is the InChIKey of 2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine?
The InChIKey is RGBGRFUSIOUYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-5-18-12-8-13(15(2,3)4)19-14-10(12)6-9(16)7-11(14)17/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine?
2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine has a molecular weight of 264.32 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine is sourced from PubChem (CID 63480120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).