1,1-dimethoxy-3,4-dihydro-2H-isoquinoline

C11H15NO2 — CID 66811083

IUPAC1,1-dimethoxy-3,4-dihydro-2H-isoquinoline
SMILESCOC1(OC)NCCc2ccccc21
InChIInChI=1S/C11H15NO2/c1-13-11(14-2)10-6-4-3-5-9(10)7-8-12-11/h3-6,12H,7-8H2,1-2H3
InChIKeyMVJZWRRXDKDIIG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.24
Rot. Bonds2

About 1,1-dimethoxy-3,4-dihydro-2H-isoquinoline

1,1-dimethoxy-3,4-dihydro-2H-isoquinoline (PubChem CID 66811083) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1,1-dimethoxy-3,4-dihydro-2H-isoquinoline.

Molecular Properties

Compound Name1,1-dimethoxy-3,4-dihydro-2H-isoquinoline
PubChem CID66811083
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1,1-dimethoxy-3,4-dihydro-2H-isoquinoline
SMILESCOC1(OC)NCCc2ccccc21
InChIInChI=1S/C11H15NO2/c1-13-11(14-2)10-6-4-3-5-9(10)7-8-12-11/h3-6,12H,7-8H2,1-2H3
InChIKeyMVJZWRRXDKDIIG-UHFFFAOYSA-N
XLogP1.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1-dimethoxy-3,4-dihydro-2H-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 1,1-dimethoxy-3,4-dihydro-2H-isoquinoline?
The IUPAC name of 1,1-dimethoxy-3,4-dihydro-2H-isoquinoline (CID 66811083) is 1,1-dimethoxy-3,4-dihydro-2H-isoquinoline.
What is the SMILES notation for 1,1-dimethoxy-3,4-dihydro-2H-isoquinoline?
The canonical SMILES for 1,1-dimethoxy-3,4-dihydro-2H-isoquinoline is COC1(OC)NCCc2ccccc21.
What is the InChIKey of 1,1-dimethoxy-3,4-dihydro-2H-isoquinoline?
The InChIKey is MVJZWRRXDKDIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-11(14-2)10-6-4-3-5-9(10)7-8-12-11/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 1,1-dimethoxy-3,4-dihydro-2H-isoquinoline?
1,1-dimethoxy-3,4-dihydro-2H-isoquinoline has a molecular weight of 193.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3,4-dihydro-2H-isoquinoline is sourced from PubChem (CID 66811083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).