1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline

C15H21NO2 — CID 64688199

IUPAC1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(OC)c2c1C(C)CNC2C1CC1
InChIInChI=1S/C15H21NO2/c1-9-8-16-15(10-4-5-10)14-12(18-3)7-6-11(17-2)13(9)14/h6-7,9-10,15-16H,4-5,8H2,1-3H3
InChIKeyUCXRVOGBFVMBGS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds3

About 1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline

1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64688199) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64688199
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(OC)c2c1C(C)CNC2C1CC1
InChIInChI=1S/C15H21NO2/c1-9-8-16-15(10-4-5-10)14-12(18-3)7-6-11(17-2)13(9)14/h6-7,9-10,15-16H,4-5,8H2,1-3H3
InChIKeyUCXRVOGBFVMBGS-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline (CID 64688199) is 1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline is COc1ccc(OC)c2c1C(C)CNC2C1CC1.
What is the InChIKey of 1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UCXRVOGBFVMBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9-8-16-15(10-4-5-10)14-12(18-3)7-6-11(17-2)13(9)14/h6-7,9-10,15-16H,4-5,8H2,1-3H3.
What are the key properties of 1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 247.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64688199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).