3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine

C13H14F2N2 — CID 103587513

IUPAC3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine
SMILESCCc1cc2c(F)c(C)cc(F)c2nc1NC
InChIInChI=1S/C13H14F2N2/c1-4-8-6-9-11(15)7(2)5-10(14)12(9)17-13(8)16-3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyPUUIIJMGJJRZRA-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.43
Rot. Bonds2

About 3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine

3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine (PubChem CID 103587513) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine.

Molecular Properties

Compound Name3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine
PubChem CID103587513
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine
SMILESCCc1cc2c(F)c(C)cc(F)c2nc1NC
InChIInChI=1S/C13H14F2N2/c1-4-8-6-9-11(15)7(2)5-10(14)12(9)17-13(8)16-3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyPUUIIJMGJJRZRA-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine?
The IUPAC name of 3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine (CID 103587513) is 3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine.
What is the SMILES notation for 3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine?
The canonical SMILES for 3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine is CCc1cc2c(F)c(C)cc(F)c2nc1NC.
What is the InChIKey of 3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine?
The InChIKey is PUUIIJMGJJRZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-4-8-6-9-11(15)7(2)5-10(14)12(9)17-13(8)16-3/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine?
3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine has a molecular weight of 236.26 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine is sourced from PubChem (CID 103587513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).