6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline

C23H23NO2 — CID 3623232

IUPAC6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2c1cc(-c2ccccc2)ccc1OC
InChIInChI=1S/C23H23NO2/c1-25-19-9-10-20-18(14-19)12-13-24-23(20)21-15-17(8-11-22(21)26-2)16-6-4-3-5-7-16/h3-11,14-15,23-24H,12-13H2,1-2H3
InChIKeyJFXQQVZUJKUIGU-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.61
Rot. Bonds4

About 6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline

6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3623232) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID3623232
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2c1cc(-c2ccccc2)ccc1OC
InChIInChI=1S/C23H23NO2/c1-25-19-9-10-20-18(14-19)12-13-24-23(20)21-15-17(8-11-22(21)26-2)16-6-4-3-5-7-16/h3-11,14-15,23-24H,12-13H2,1-2H3
InChIKeyJFXQQVZUJKUIGU-UHFFFAOYSA-N
XLogP4.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3473176
6,7-dimethoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3933411
1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3521561
6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 4019885
6-methoxy-1-(2,3,4-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543754
7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543720
1-(2,5-dimethoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5145855
1-(3-tert-butyl-4-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3365877
1-(4,5-dimethoxy-2-nitrophenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3261795
1-(4,5-dimethoxy-2-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5015514
2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 4317391
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 3623232) is 6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)CCNC2c1cc(-c2ccccc2)ccc1OC.
What is the InChIKey of 6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JFXQQVZUJKUIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-25-19-9-10-20-18(14-19)12-13-24-23(20)21-15-17(8-11-22(21)26-2)16-6-4-3-5-7-16/h3-11,14-15,23-24H,12-13H2,1-2H3.
What are the key properties of 6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline?
6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 345.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3623232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).