2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine

C12H17BrN2 — CID 84641162

IUPAC2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine
SMILESCNCCC1CCc2cc(Br)ccc2N1
InChIInChI=1S/C12H17BrN2/c1-14-7-6-11-4-2-9-8-10(13)3-5-12(9)15-11/h3,5,8,11,14-15H,2,4,6-7H2,1H3
InChIKeyCUTDHCNAWCHTSE-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.79
Rot. Bonds3

About 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine

2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine (PubChem CID 84641162) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine
PubChem CID84641162
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine
SMILESCNCCC1CCc2cc(Br)ccc2N1
InChIInChI=1S/C12H17BrN2/c1-14-7-6-11-4-2-9-8-10(13)3-5-12(9)15-11/h3,5,8,11,14-15H,2,4,6-7H2,1H3
InChIKeyCUTDHCNAWCHTSE-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethyl]propan-2-amine
CID 67530768
methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 10401600
CID 101024891
CID 101024891
2-(methylaminomethyl)-1,2,3,4-tetrahydroquinolin-6-ol
CID 105446256
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
2-(6-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanol
CID 105460503
(2S)-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 97296326
6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 164550250
4-(4-bromo-2-methylphenyl)-6-[2-(methylamino)ethyl]piperazin-2-one
CID 84607052
3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine
CID 83867014
5-bromo-2-methoxy-2,3-dihydro-1H-indole
CID 160760418
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83488810

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine (CID 84641162) is 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine is CNCCC1CCc2cc(Br)ccc2N1.
What is the InChIKey of 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine?
The InChIKey is CUTDHCNAWCHTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-14-7-6-11-4-2-9-8-10(13)3-5-12(9)15-11/h3,5,8,11,14-15H,2,4,6-7H2,1H3.
What are the key properties of 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine?
2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine has a molecular weight of 269.19 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine is sourced from PubChem (CID 84641162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).