6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium

C12H16NO+ — CID 166464665

IUPAC6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium
SMILESCOc1ccc2c(c1)C(C)C[N+](C)=C2
InChIInChI=1S/C12H16NO/c1-9-7-13(2)8-10-4-5-11(14-3)6-12(9)10/h4-6,8-9H,7H2,1-3H3/q+1
InChIKeyHJBXMKAPKXLTMF-UHFFFAOYSA-N
MW190.27 g/mol
LogP1.87
Rot. Bonds1

About 6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium

6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium (PubChem CID 166464665) has the molecular formula C12H16NO+ and a molecular weight of 190.27 g/mol. Its IUPAC name is 6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium.

Molecular Properties

Compound Name6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium
PubChem CID166464665
Molecular FormulaC12H16NO+
Molecular Weight190.27 g/mol
Exact Mass190.12
IUPAC Name6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium
SMILESCOc1ccc2c(c1)C(C)C[N+](C)=C2
InChIInChI=1S/C12H16NO/c1-9-7-13(2)8-10-4-5-11(14-3)6-12(9)10/h4-6,8-9H,7H2,1-3H3/q+1
InChIKeyHJBXMKAPKXLTMF-UHFFFAOYSA-N
XLogP1.87
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 82075312
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CID 172992069
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2,7,9-trimethoxy-9H-fluorene
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium?
The IUPAC name of 6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium (CID 166464665) is 6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium.
What is the SMILES notation for 6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium?
The canonical SMILES for 6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium is COc1ccc2c(c1)C(C)C[N+](C)=C2.
What is the InChIKey of 6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium?
The InChIKey is HJBXMKAPKXLTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO/c1-9-7-13(2)8-10-4-5-11(14-3)6-12(9)10/h4-6,8-9H,7H2,1-3H3/q+1.
What are the key properties of 6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium?
6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium has a molecular weight of 190.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,4-dimethyl-3,4-dihydroisoquinolin-2-ium is sourced from PubChem (CID 166464665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).