7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

C11H15NO — CID 175826905

IUPAC7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILES[2H]c1cc2c(cc1OC)CCN(C)C2
InChIInChI=1S/C11H15NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7H,5-6,8H2,1-2H3/i4D
InChIKeyFXCIEQJPMSJEII-QYKNYGDISA-N
MW178.25 g/mol
LogP1.68
Rot. Bonds1

About 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 175826905) has the molecular formula C11H15NO and a molecular weight of 178.25 g/mol. Its IUPAC name is 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID175826905
Molecular FormulaC11H15NO
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILES[2H]c1cc2c(cc1OC)CCN(C)C2
InChIInChI=1S/C11H15NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7H,5-6,8H2,1-2H3/i4D
InChIKeyFXCIEQJPMSJEII-QYKNYGDISA-N
XLogP1.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline (CID 175826905) is 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline is [2H]c1cc2c(cc1OC)CCN(C)C2.
What is the InChIKey of 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FXCIEQJPMSJEII-QYKNYGDISA-N. The full InChI is InChI=1S/C11H15NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7H,5-6,8H2,1-2H3/i4D.
What are the key properties of 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 178.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 175826905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).