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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Related Compounds

7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol
CID 135507780
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
CID 626628
1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 13419015
1-(4-chlorophenyl)-3,4-dihydroisoquinoline
CID 14998904
ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one
CID 91171683
4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole
CID 71403996
1-pyridin-3-yl-3,4-dihydroisoquinoline
CID 14192081
1-ethyl-8-methyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2-one
CID 619356
CID 155741888
CID 155741888
1-(3,4-difluorophenyl)-3,4-dihydroisoquinoline
CID 59536390
5-methyl-6-phenyl-2,3-dihydro-1-benzofuran
CID 12878338

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).