2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine

C11H15BrN2 — CID 84635560

IUPAC2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
SMILESNCCC1CCc2cccc(Br)c2N1
InChIInChI=1S/C11H15BrN2/c12-10-3-1-2-8-4-5-9(6-7-13)14-11(8)10/h1-3,9,14H,4-7,13H2
InChIKeyQGUAWHUPMYXTEE-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.52
Rot. Bonds2

About 2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine

2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine (PubChem CID 84635560) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
PubChem CID84635560
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
SMILESNCCC1CCc2cccc(Br)c2N1
InChIInChI=1S/C11H15BrN2/c12-10-3-1-2-8-4-5-9(6-7-13)14-11(8)10/h1-3,9,14H,4-7,13H2
InChIKeyQGUAWHUPMYXTEE-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine?
The IUPAC name of 2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine (CID 84635560) is 2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine is NCCC1CCc2cccc(Br)c2N1.
What is the InChIKey of 2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine?
The InChIKey is QGUAWHUPMYXTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-3-1-2-8-4-5-9(6-7-13)14-11(8)10/h1-3,9,14H,4-7,13H2.
What are the key properties of 2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine?
2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine has a molecular weight of 255.16 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine is sourced from PubChem (CID 84635560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).