7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C10H13BrClN — CID 121273013

IUPAC7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCC1NCCc2ccc(Br)cc21.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-10-6-9(11)3-2-8(10)4-5-12-7;/h2-3,6-7,12H,4-5H2,1H3;1H
InChIKeyMKPIKRDCFGEBEK-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.08
Rot. Bonds

About 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 121273013) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID121273013
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCC1NCCc2ccc(Br)cc21.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-10-6-9(11)3-2-8(10)4-5-12-7;/h2-3,6-7,12H,4-5H2,1H3;1H
InChIKeyMKPIKRDCFGEBEK-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7462300
7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
3-Ethyl-1,2,3,4-tetrahydroisoquinoline
CID 14027805
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7462302
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
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
4-Bromo-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
CID 9904403
3-Bromo-5-methyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine
CID 13194161
7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 44405495

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 121273013) is 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is CC1NCCc2ccc(Br)cc21.Cl.
What is the InChIKey of 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is MKPIKRDCFGEBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c1-7-10-6-9(11)3-2-8(10)4-5-12-7;/h2-3,6-7,12H,4-5H2,1H3;1H.
What are the key properties of 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 121273013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).