(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C10H13BrClN — CID 155921000

IUPAC(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESC[C@H]1Cc2cc(Br)ccc2CN1.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-4-9-5-10(11)3-2-8(9)6-12-7;/h2-3,5,7,12H,4,6H2,1H3;1H/t7-;/m0./s1
InChIKeyOSFXULGYSXHFHM-FJXQXJEOSA-N
MW262.58 g/mol
LogP2.91
Rot. Bonds

About (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 155921000) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID155921000
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESC[C@H]1Cc2cc(Br)ccc2CN1.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-4-9-5-10(11)3-2-8(9)6-12-7;/h2-3,5,7,12H,4,6H2,1H3;1H/t7-;/m0./s1
InChIKeyOSFXULGYSXHFHM-FJXQXJEOSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
(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 (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 155921000) is (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is C[C@H]1Cc2cc(Br)ccc2CN1.Cl.
What is the InChIKey of (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is OSFXULGYSXHFHM-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c1-7-4-9-5-10(11)3-2-8(9)6-12-7;/h2-3,5,7,12H,4,6H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 155921000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).