2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine

C14H16F2N2 — CID 62196271

IUPAC2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
SMILESCNc1cc(C(C)(C)C)nc2c(F)cc(F)cc12
InChIInChI=1S/C14H16F2N2/c1-14(2,3)12-7-11(17-4)9-5-8(15)6-10(16)13(9)18-12/h5-7H,1-4H3,(H,17,18)
InChIKeyLIUFGNANTUUDLF-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.85
Rot. Bonds1

About 2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine

2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine (PubChem CID 62196271) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
PubChem CID62196271
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
SMILESCNc1cc(C(C)(C)C)nc2c(F)cc(F)cc12
InChIInChI=1S/C14H16F2N2/c1-14(2,3)12-7-11(17-4)9-5-8(15)6-10(16)13(9)18-12/h5-7H,1-4H3,(H,17,18)
InChIKeyLIUFGNANTUUDLF-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine?
The IUPAC name of 2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine (CID 62196271) is 2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine is CNc1cc(C(C)(C)C)nc2c(F)cc(F)cc12.
What is the InChIKey of 2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine?
The InChIKey is LIUFGNANTUUDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-14(2,3)12-7-11(17-4)9-5-8(15)6-10(16)13(9)18-12/h5-7H,1-4H3,(H,17,18).
What are the key properties of 2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine?
2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine has a molecular weight of 250.29 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine is sourced from PubChem (CID 62196271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).