2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine

C13H16FN3 — CID 82243092

IUPAC2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine
SMILESCN(C)c1cc(CCN)nc2c(F)cccc12
InChIInChI=1S/C13H16FN3/c1-17(2)12-8-9(6-7-15)16-13-10(12)4-3-5-11(13)14/h3-5,8H,6-7,15H2,1-2H3
InChIKeyZNJMFURARDXRES-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.94
Rot. Bonds3

About 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine

2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine (PubChem CID 82243092) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine
PubChem CID82243092
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine
SMILESCN(C)c1cc(CCN)nc2c(F)cccc12
InChIInChI=1S/C13H16FN3/c1-17(2)12-8-9(6-7-15)16-13-10(12)4-3-5-11(13)14/h3-5,8H,6-7,15H2,1-2H3
InChIKeyZNJMFURARDXRES-UHFFFAOYSA-N
XLogP1.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine (CID 82243092) is 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine is CN(C)c1cc(CCN)nc2c(F)cccc12.
What is the InChIKey of 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine?
The InChIKey is ZNJMFURARDXRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-17(2)12-8-9(6-7-15)16-13-10(12)4-3-5-11(13)14/h3-5,8H,6-7,15H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine?
2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine has a molecular weight of 233.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine is sourced from PubChem (CID 82243092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).