(1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol

C11H14BrNO — CID 132500910

IUPAC(1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESC[C@@H]1Cc2c(Br)ccc(O)c2[C@@H](C)N1
InChIInChI=1S/C11H14BrNO/c1-6-5-8-9(12)3-4-10(14)11(8)7(2)13-6/h3-4,6-7,13-14H,5H2,1-2H3/t6-,7-/m1/s1
InChIKeyRJRQFSJVJMGASP-RNFRBKRXSA-N
MW256.14 g/mol
LogP2.75
Rot. Bonds

About (1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol

(1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 132500910) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name(1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID132500910
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESC[C@@H]1Cc2c(Br)ccc(O)c2[C@@H](C)N1
InChIInChI=1S/C11H14BrNO/c1-6-5-8-9(12)3-4-10(14)11(8)7(2)13-6/h3-4,6-7,13-14H,5H2,1-2H3/t6-,7-/m1/s1
InChIKeyRJRQFSJVJMGASP-RNFRBKRXSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze (1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol with MolForge

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Related Compounds

(3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 22864084
4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one
CID 71082807
8-bromo-5-fluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 66007625
4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol
CID 67968906
5-bromo-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 11687510
(3S)-5-bromo-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 164517324
(1S,3S)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 11790412
5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 5016519
(1S,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 15377959
4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene
CID 90325905
4-bromo-3-methyl-2-piperidin-4-ylphenol
CID 84712688
2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 84705603

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of (1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 132500910) is (1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for (1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for (1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol is C[C@@H]1Cc2c(Br)ccc(O)c2[C@@H](C)N1.
What is the InChIKey of (1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is RJRQFSJVJMGASP-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-6-5-8-9(12)3-4-10(14)11(8)7(2)13-6/h3-4,6-7,13-14H,5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
(1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 256.14 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-5-bromo-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 132500910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).