6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

C13H19NO2 — CID 59526473

IUPAC6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1c(C)c2c(c(C)c1OC)CNCC2
InChIInChI=1S/C13H19NO2/c1-8-10-5-6-14-7-11(10)9(2)13(16-4)12(8)15-3/h14H,5-7H2,1-4H3
InChIKeyPKDDYMQVQKPWIN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds2

About 6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 59526473) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID59526473
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1c(C)c2c(c(C)c1OC)CNCC2
InChIInChI=1S/C13H19NO2/c1-8-10-5-6-14-7-11(10)9(2)13(16-4)12(8)15-3/h14H,5-7H2,1-4H3
InChIKeyPKDDYMQVQKPWIN-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 59526473) is 6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline is COc1c(C)c2c(c(C)c1OC)CNCC2.
What is the InChIKey of 6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PKDDYMQVQKPWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-10-5-6-14-7-11(10)9(2)13(16-4)12(8)15-3/h14H,5-7H2,1-4H3.
What are the key properties of 6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 221.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 59526473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).