2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine

C13H19ClN2 — CID 84629340

IUPAC2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine
SMILESCNCCC1CCc2cccc(Cl)c2N1C
InChIInChI=1S/C13H19ClN2/c1-15-9-8-11-7-6-10-4-3-5-12(14)13(10)16(11)2/h3-5,11,15H,6-9H2,1-2H3
InChIKeyWPYKJHDLTHFLQT-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.70
Rot. Bonds3

About 2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine

2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine (PubChem CID 84629340) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine
PubChem CID84629340
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine
SMILESCNCCC1CCc2cccc(Cl)c2N1C
InChIInChI=1S/C13H19ClN2/c1-15-9-8-11-7-6-10-4-3-5-12(14)13(10)16(11)2/h3-5,11,15H,6-9H2,1-2H3
InChIKeyWPYKJHDLTHFLQT-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine (CID 84629340) is 2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine is CNCCC1CCc2cccc(Cl)c2N1C.
What is the InChIKey of 2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine?
The InChIKey is WPYKJHDLTHFLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-15-9-8-11-7-6-10-4-3-5-12(14)13(10)16(11)2/h3-5,11,15H,6-9H2,1-2H3.
What are the key properties of 2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine?
2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine has a molecular weight of 238.76 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine is sourced from PubChem (CID 84629340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).