2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine

C13H19BrN2 — CID 84643191

IUPAC2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
SMILESCNCCC1CCN(C)c2ccc(Br)cc21
InChIInChI=1S/C13H19BrN2/c1-15-7-5-10-6-8-16(2)13-4-3-11(14)9-12(10)13/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyWPZOLPJXDDYUGM-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.98
Rot. Bonds3

About 2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine

2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine (PubChem CID 84643191) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
PubChem CID84643191
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
SMILESCNCCC1CCN(C)c2ccc(Br)cc21
InChIInChI=1S/C13H19BrN2/c1-15-7-5-10-6-8-16(2)13-4-3-11(14)9-12(10)13/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyWPZOLPJXDDYUGM-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine?
The IUPAC name of 2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine (CID 84643191) is 2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine is CNCCC1CCN(C)c2ccc(Br)cc21.
What is the InChIKey of 2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine?
The InChIKey is WPZOLPJXDDYUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-15-7-5-10-6-8-16(2)13-4-3-11(14)9-12(10)13/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine?
2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine has a molecular weight of 283.21 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine is sourced from PubChem (CID 84643191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).