6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride

C12H20ClNO2 — CID 24871286

IUPAC6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride
SMILESCOC1=C(OC)CC2=C(CCNC2C)C1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;/h8,13H,4-7H2,1-3H3;1H
InChIKeyISCWPLMYKKUDEP-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.38
Rot. Bonds2

About 6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride

6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride (PubChem CID 24871286) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride
PubChem CID24871286
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride
SMILESCOC1=C(OC)CC2=C(CCNC2C)C1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;/h8,13H,4-7H2,1-3H3;1H
InChIKeyISCWPLMYKKUDEP-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.38
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 6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride?
The IUPAC name of 6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride (CID 24871286) is 6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride is COC1=C(OC)CC2=C(CCNC2C)C1.Cl.
What is the InChIKey of 6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride?
The InChIKey is ISCWPLMYKKUDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;/h8,13H,4-7H2,1-3H3;1H.
What are the key properties of 6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride?
6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-1,2,3,4,5,8-hexahydroisoquinoline;hydrochloride is sourced from PubChem (CID 24871286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).