5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

C16H25NO2 — CID 64686601

IUPAC5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)C(CC(C)C)NC2
InChIInChI=1S/C16H25NO2/c1-10(2)6-14-11(3)16-12(9-17-14)7-13(18-4)8-15(16)19-5/h7-8,10-11,14,17H,6,9H2,1-5H3
InChIKeyKSQWDWSSCNSBIZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.33
Rot. Bonds4

About 5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64686601) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID64686601
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)C(CC(C)C)NC2
InChIInChI=1S/C16H25NO2/c1-10(2)6-14-11(3)16-12(9-17-14)7-13(18-4)8-15(16)19-5/h7-8,10-11,14,17H,6,9H2,1-5H3
InChIKeyKSQWDWSSCNSBIZ-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 64686601) is 5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(c(OC)c1)C(C)C(CC(C)C)NC2.
What is the InChIKey of 5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KSQWDWSSCNSBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(2)6-14-11(3)16-12(9-17-14)7-13(18-4)8-15(16)19-5/h7-8,10-11,14,17H,6,9H2,1-5H3.
What are the key properties of 5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 263.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64686601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).