6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C10H13BrClN — CID 71758140

IUPAC6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1cc(Br)cc2c1CNCC2.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-4-9(11)5-8-2-3-12-6-10(7)8;/h4-5,12H,2-3,6H2,1H3;1H
InChIKeyFLQUMDZJVBCOBB-UHFFFAOYSA-N
MW262.58 g/mol
LogP2.83
Rot. Bonds

About 6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 71758140) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID71758140
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1cc(Br)cc2c1CNCC2.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-4-9(11)5-8-2-3-12-6-10(7)8;/h4-5,12H,2-3,6H2,1H3;1H
InChIKeyFLQUMDZJVBCOBB-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 71758140) is 6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cc1cc(Br)cc2c1CNCC2.Cl.
What is the InChIKey of 6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is FLQUMDZJVBCOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c1-7-4-9(11)5-8-2-3-12-6-10(7)8;/h4-5,12H,2-3,6H2,1H3;1H.
What are the key properties of 6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 71758140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).