1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline

C17H19NO2 — CID 89392486

IUPAC1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline
SMILESCON1CC=C2C=CCC=C2C1(OC)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-19-17(15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-13-18(17)20-2/h3-6,8-12H,7,13H2,1-2H3
InChIKeyPNYLWCJFAGLWJZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.18
Rot. Bonds3

About 1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline

1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline (PubChem CID 89392486) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline.

Molecular Properties

Compound Name1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline
PubChem CID89392486
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline
SMILESCON1CC=C2C=CCC=C2C1(OC)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-19-17(15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-13-18(17)20-2/h3-6,8-12H,7,13H2,1-2H3
InChIKeyPNYLWCJFAGLWJZ-UHFFFAOYSA-N
XLogP3.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline?
The IUPAC name of 1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline (CID 89392486) is 1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline.
What is the SMILES notation for 1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline?
The canonical SMILES for 1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline is CON1CC=C2C=CCC=C2C1(OC)c1ccccc1.
What is the InChIKey of 1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline?
The InChIKey is PNYLWCJFAGLWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-17(15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-13-18(17)20-2/h3-6,8-12H,7,13H2,1-2H3.
What are the key properties of 1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline?
1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline has a molecular weight of 269.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-1-phenyl-3,7-dihydroisoquinoline is sourced from PubChem (CID 89392486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).