2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine

C11H16N2O — CID 168846425

IUPAC2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine
SMILES[2H]C([2H])([2H])Oc1cc2c(cc1N)CN(C)CC2
InChIInChI=1S/C11H16N2O/c1-13-4-3-8-6-11(14-2)10(12)5-9(8)7-13/h5-6H,3-4,7,12H2,1-2H3/i2D3
InChIKeyXRHYBSPANQDMJG-BMSJAHLVSA-N
MW195.28 g/mol
LogP1.27
Rot. Bonds2

About 2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine

2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 168846425) has the molecular formula C11H16N2O and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID168846425
Molecular FormulaC11H16N2O
Molecular Weight195.28 g/mol
Exact Mass195.15
IUPAC Name2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine
SMILES[2H]C([2H])([2H])Oc1cc2c(cc1N)CN(C)CC2
InChIInChI=1S/C11H16N2O/c1-13-4-3-8-6-11(14-2)10(12)5-9(8)7-13/h5-6H,3-4,7,12H2,1-2H3/i2D3
InChIKeyXRHYBSPANQDMJG-BMSJAHLVSA-N
XLogP1.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine (CID 168846425) is 2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine is [2H]C([2H])([2H])Oc1cc2c(cc1N)CN(C)CC2.
What is the InChIKey of 2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is XRHYBSPANQDMJG-BMSJAHLVSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-4-3-8-6-11(14-2)10(12)5-9(8)7-13/h5-6H,3-4,7,12H2,1-2H3/i2D3.
What are the key properties of 2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine?
2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 195.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 168846425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).