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

C9H11BrClN — CID 45480414

IUPAC8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESBrc1cccc2c1CNCC2.Cl
InChIInChI=1S/C9H10BrN.ClH/c10-9-3-1-2-7-4-5-11-6-8(7)9;/h1-3,11H,4-6H2;1H
InChIKeyJKWVDBMVHDRRLD-UHFFFAOYSA-N
MW248.55 g/mol
LogP2.52
Rot. Bonds

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

8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 45480414) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID45480414
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESBrc1cccc2c1CNCC2.Cl
InChIInChI=1S/C9H10BrN.ClH/c10-9-3-1-2-7-4-5-11-6-8(7)9;/h1-3,11H,4-6H2;1H
InChIKeyJKWVDBMVHDRRLD-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-Tetrahydroisoquinoline
CID 7046
7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
1,2,3,4-Tetrahydroisoquinoline Hydrochloride
CID 2734717
8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 44363154
5-Bromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
CID 5067706
7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 44405495
Benzenemethanamine, 3-bromo-N-propyl-
CID 457590
Benzenemethanamine, 2-bromo-N-ethyl-
CID 485401
1,2,3,4-Tetrahydroisoquinolin-2-ium;chloride
CID 26459
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
1-(3-Bromobenzyl)piperazine
CID 876852

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 45480414) is 8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Brc1cccc2c1CNCC2.Cl.
What is the InChIKey of 8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is JKWVDBMVHDRRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN.ClH/c10-9-3-1-2-7-4-5-11-6-8(7)9;/h1-3,11H,4-6H2;1H.
What are the key properties of 8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 248.55 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 45480414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).