2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine

C11H12FN3 — CID 84673149

IUPAC2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine
SMILESCNc1cc(CN)nc2c(F)cccc12
InChIInChI=1S/C11H12FN3/c1-14-10-5-7(6-13)15-11-8(10)3-2-4-9(11)12/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyYPYKVDSUQJOBOH-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.87
Rot. Bonds2

About 2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine

2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine (PubChem CID 84673149) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine
PubChem CID84673149
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine
SMILESCNc1cc(CN)nc2c(F)cccc12
InChIInChI=1S/C11H12FN3/c1-14-10-5-7(6-13)15-11-8(10)3-2-4-9(11)12/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyYPYKVDSUQJOBOH-UHFFFAOYSA-N
XLogP1.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine (CID 84673149) is 2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine is CNc1cc(CN)nc2c(F)cccc12.
What is the InChIKey of 2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine?
The InChIKey is YPYKVDSUQJOBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-14-10-5-7(6-13)15-11-8(10)3-2-4-9(11)12/h2-5H,6,13H2,1H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine?
2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine has a molecular weight of 205.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine is sourced from PubChem (CID 84673149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).