N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine

C13H15FN2 — CID 63232718

IUPACN-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine
SMILESCCNc1nc2c(C)cc(F)cc2cc1C
InChIInChI=1S/C13H15FN2/c1-4-15-13-9(3)5-10-7-11(14)6-8(2)12(10)16-13/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyABRRPLUTGPCMIW-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.42
Rot. Bonds2

About N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine

N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine (PubChem CID 63232718) has the molecular formula C13H15FN2 and a molecular weight of 218.27 g/mol. Its IUPAC name is N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine
PubChem CID63232718
Molecular FormulaC13H15FN2
Molecular Weight218.27 g/mol
Exact Mass218.12
IUPAC NameN-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine
SMILESCCNc1nc2c(C)cc(F)cc2cc1C
InChIInChI=1S/C13H15FN2/c1-4-15-13-9(3)5-10-7-11(14)6-8(2)12(10)16-13/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyABRRPLUTGPCMIW-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine?
The IUPAC name of N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine (CID 63232718) is N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine.
What is the SMILES notation for N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine?
The canonical SMILES for N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine is CCNc1nc2c(C)cc(F)cc2cc1C.
What is the InChIKey of N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine?
The InChIKey is ABRRPLUTGPCMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-4-15-13-9(3)5-10-7-11(14)6-8(2)12(10)16-13/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine?
N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine has a molecular weight of 218.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-3,8-dimethylquinolin-2-amine is sourced from PubChem (CID 63232718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).