7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

C17H19NO — CID 15113388

IUPAC7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)CC2c1ccccc1
InChIInChI=1S/C17H19NO/c1-18-11-14-10-15(19-2)8-9-16(14)17(12-18)13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3
InChIKeyDBOZEPCLJKANCL-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.27
Rot. Bonds2

About 7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 15113388) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID15113388
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(C)CC2c1ccccc1
InChIInChI=1S/C17H19NO/c1-18-11-14-10-15(19-2)8-9-16(14)17(12-18)13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3
InChIKeyDBOZEPCLJKANCL-UHFFFAOYSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (CID 15113388) is 7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CN(C)CC2c1ccccc1.
What is the InChIKey of 7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is DBOZEPCLJKANCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-11-14-10-15(19-2)8-9-16(14)17(12-18)13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 253.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 15113388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).