5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

C18H21NO2 — CID 3964850

IUPAC5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1OC)CCNC2c1ccccc1C
InChIInChI=1S/C18H21NO2/c1-12-6-4-5-7-13(12)17-14-8-9-16(20-2)18(21-3)15(14)10-11-19-17/h4-9,17,19H,10-11H2,1-3H3
InChIKeyINZJAYPDTROKSX-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.25
Rot. Bonds3

About 5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3964850) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID3964850
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1OC)CCNC2c1ccccc1C
InChIInChI=1S/C18H21NO2/c1-12-6-4-5-7-13(12)17-14-8-9-16(20-2)18(21-3)15(14)10-11-19-17/h4-9,17,19H,10-11H2,1-3H3
InChIKeyINZJAYPDTROKSX-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3327080
5-ethoxy-6-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4672498
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83691109
1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141227278
1-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3961457
1-(3-chloro-1-benzothiophen-2-yl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 71115940
1-(4-chlorophenyl)-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3483670
6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 52983529
1-(3-tert-butyl-5-methylphenyl)-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4201765
1-(2-chloroethyl)-6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepine
CID 54555454
4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride
CID 45371262
6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485238

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 3964850) is 5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1OC)CCNC2c1ccccc1C.
What is the InChIKey of 5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is INZJAYPDTROKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-6-4-5-7-13(12)17-14-8-9-16(20-2)18(21-3)15(14)10-11-19-17/h4-9,17,19H,10-11H2,1-3H3.
What are the key properties of 5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 283.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3964850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).