6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C10H13BrClN — CID 86767503

IUPAC6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1c(Br)ccc2c1CCNC2.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-9-4-5-12-6-8(9)2-3-10(7)11;/h2-3,12H,4-6H2,1H3;1H
InChIKeyNSFONRRLTHHGSQ-UHFFFAOYSA-N
MW262.58 g/mol
LogP2.83
Rot. Bonds

About 6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 86767503) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID86767503
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCc1c(Br)ccc2c1CCNC2.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-9-4-5-12-6-8(9)2-3-10(7)11;/h2-3,12H,4-6H2,1H3;1H
InChIKeyNSFONRRLTHHGSQ-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

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Related Compounds

7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
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
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
3-Trifluoromethyl-7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10401405
7-Bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10514405
(R)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10610273
(S)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10776652
7-Bromo-3-difluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 11500379
7-Bromo-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 16216219
7-Bromo-3-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 44405498
8-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 12630420

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 86767503) is 6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cc1c(Br)ccc2c1CCNC2.Cl.
What is the InChIKey of 6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is NSFONRRLTHHGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c1-7-9-4-5-12-6-8(9)2-3-10(7)11;/h2-3,12H,4-6H2,1H3;1H.
What are the key properties of 6-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6-bromo-5-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-5-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 86767503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).