(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline

C10H12BrN — CID 96980969

IUPAC(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@H]1NCCc2cc(Br)ccc21
InChIInChI=1S/C10H12BrN/c1-7-10-3-2-9(11)6-8(10)4-5-12-7/h2-3,6-7,12H,4-5H2,1H3/t7-/m1/s1
InChIKeyJWPFGTSRERYDEW-SSDOTTSWSA-N
MW226.12 g/mol
LogP2.66
Rot. Bonds

About (1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline

(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 96980969) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is (1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID96980969
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESC[C@H]1NCCc2cc(Br)ccc21
InChIInChI=1S/C10H12BrN/c1-7-10-3-2-9(11)6-8(10)4-5-12-7/h2-3,6-7,12H,4-5H2,1H3/t7-/m1/s1
InChIKeyJWPFGTSRERYDEW-SSDOTTSWSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 96980969) is (1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline is C[C@H]1NCCc2cc(Br)ccc21.
What is the InChIKey of (1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JWPFGTSRERYDEW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12BrN/c1-7-10-3-2-9(11)6-8(10)4-5-12-7/h2-3,6-7,12H,4-5H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline?
(1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 226.12 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 96980969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).