6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline

C17H17N — CID 156695134

IUPAC6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline
SMILESCc1cc2c(cc1C)C(c1ccccc1)=NCC2
InChIInChI=1S/C17H17N/c1-12-10-15-8-9-18-17(16(15)11-13(12)2)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHUPGYVOHHRUZON-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.70
Rot. Bonds1

About 6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline

6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline (PubChem CID 156695134) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline
PubChem CID156695134
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline
SMILESCc1cc2c(cc1C)C(c1ccccc1)=NCC2
InChIInChI=1S/C17H17N/c1-12-10-15-8-9-18-17(16(15)11-13(12)2)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHUPGYVOHHRUZON-UHFFFAOYSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline?
The IUPAC name of 6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline (CID 156695134) is 6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline?
The canonical SMILES for 6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline is Cc1cc2c(cc1C)C(c1ccccc1)=NCC2.
What is the InChIKey of 6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline?
The InChIKey is HUPGYVOHHRUZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-12-10-15-8-9-18-17(16(15)11-13(12)2)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline?
6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline has a molecular weight of 235.33 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 156695134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).