(1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline

C12H19NO2 — CID 76764296

IUPAC(1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline
SMILESCOC1=C(OC)CC2=C(CCN[C@@H]2C)C1
InChIInChI=1S/C12H19NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h8,13H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyOZKNQCKDSJZTPP-MRVPVSSYSA-N
MW209.29 g/mol
LogP1.96
Rot. Bonds2

About (1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline

(1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline (PubChem CID 76764296) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline.

Molecular Properties

Compound Name(1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline
PubChem CID76764296
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline
SMILESCOC1=C(OC)CC2=C(CCN[C@@H]2C)C1
InChIInChI=1S/C12H19NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h8,13H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyOZKNQCKDSJZTPP-MRVPVSSYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline?
The IUPAC name of (1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline (CID 76764296) is (1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline.
What is the SMILES notation for (1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline?
The canonical SMILES for (1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline is COC1=C(OC)CC2=C(CCN[C@@H]2C)C1.
What is the InChIKey of (1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline?
The InChIKey is OZKNQCKDSJZTPP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h8,13H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline?
(1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline has a molecular weight of 209.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline is sourced from PubChem (CID 76764296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).