6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C12H18ClNO2 — CID 6420035

IUPAC6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)C(C)NCC2.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;/h6-8,13H,4-5H2,1-3H3;1H
InChIKeyUJXLTDHDLUBZBL-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.33
Rot. Bonds2

About 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 6420035) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID6420035
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCOc1cc2c(cc1OC)C(C)NCC2.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;/h6-8,13H,4-5H2,1-3H3;1H
InChIKeyUJXLTDHDLUBZBL-UHFFFAOYSA-N
XLogP2.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 6420035) is 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is COc1cc2c(cc1OC)C(C)NCC2.Cl.
What is the InChIKey of 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is UJXLTDHDLUBZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;/h6-8,13H,4-5H2,1-3H3;1H.
What are the key properties of 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.33, 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-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 6420035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).