2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine

C13H15ClN2 — CID 84627983

IUPAC2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine
SMILESCNCCc1cc(C)c2cccc(Cl)c2n1
InChIInChI=1S/C13H15ClN2/c1-9-8-10(6-7-15-2)16-13-11(9)4-3-5-12(13)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeySQICXKLBVSWTGL-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.96
Rot. Bonds3

About 2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine

2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine (PubChem CID 84627983) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine
PubChem CID84627983
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine
SMILESCNCCc1cc(C)c2cccc(Cl)c2n1
InChIInChI=1S/C13H15ClN2/c1-9-8-10(6-7-15-2)16-13-11(9)4-3-5-12(13)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeySQICXKLBVSWTGL-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine (CID 84627983) is 2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine is CNCCc1cc(C)c2cccc(Cl)c2n1.
What is the InChIKey of 2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine?
The InChIKey is SQICXKLBVSWTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-9-8-10(6-7-15-2)16-13-11(9)4-3-5-12(13)14/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine?
2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine has a molecular weight of 234.73 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine is sourced from PubChem (CID 84627983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).