8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride

C10H13BrClN — CID 165468131

IUPAC8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCC1CCc2cccc(Br)c2N1.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-5-6-8-3-2-4-9(11)10(8)12-7;/h2-4,7,12H,5-6H2,1H3;1H
InChIKeyZOMPMHUWRILXED-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.62
Rot. Bonds

About 8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride

8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 165468131) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID165468131
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCC1CCc2cccc(Br)c2N1.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-5-6-8-3-2-4-9(11)10(8)12-7;/h2-4,7,12H,5-6H2,1H3;1H
InChIKeyZOMPMHUWRILXED-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 165468131) is 8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride is CC1CCc2cccc(Br)c2N1.Cl.
What is the InChIKey of 8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is ZOMPMHUWRILXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c1-7-5-6-8-3-2-4-9(11)10(8)12-7;/h2-4,7,12H,5-6H2,1H3;1H.
What are the key properties of 8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride?
8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methyl-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 165468131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).