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

C17H19NO — CID 15113390

IUPAC6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)C(c1ccccc1)CN(C)C2
InChIInChI=1S/C17H19NO/c1-18-11-14-8-9-15(19-2)10-16(14)17(12-18)13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3
InChIKeyQNWBLRHWGDFQHE-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.27
Rot. Bonds2

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

6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 15113390) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID15113390
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)C(c1ccccc1)CN(C)C2
InChIInChI=1S/C17H19NO/c1-18-11-14-8-9-15(19-2)10-16(14)17(12-18)13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3
InChIKeyQNWBLRHWGDFQHE-UHFFFAOYSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (CID 15113390) is 6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)C(c1ccccc1)CN(C)C2.
What is the InChIKey of 6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is QNWBLRHWGDFQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-11-14-8-9-15(19-2)10-16(14)17(12-18)13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 253.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 15113390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).