7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

C18H21NO2 — CID 106543720

IUPAC7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(c1cc(C)ccc1OC)NCC2
InChIInChI=1S/C18H21NO2/c1-12-4-7-17(21-3)16(10-12)18-15-11-14(20-2)6-5-13(15)8-9-19-18/h4-7,10-11,18-19H,8-9H2,1-3H3
InChIKeyOSZGQNIILZTXEF-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.25
Rot. Bonds3

About 7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106543720) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106543720
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(c1cc(C)ccc1OC)NCC2
InChIInChI=1S/C18H21NO2/c1-12-4-7-17(21-3)16(10-12)18-15-11-14(20-2)6-5-13(15)8-9-19-18/h4-7,10-11,18-19H,8-9H2,1-3H3
InChIKeyOSZGQNIILZTXEF-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

6,7-diethoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3994992
1-(2,5-dimethoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5145855
1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3521561
N,N-diethyl-2-[[1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine
CID 3382143
3-[[1-(2,5-dimethoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-dimethylpropan-1-amine
CID 5144636
1-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543736
6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3623232
N,N-diethyl-2-[[6-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethanamine
CID 5150564
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
6-methoxy-1-(2,3,4-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543754
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
1-(5-ethyl-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3938747

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 106543720) is 7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)C(c1cc(C)ccc1OC)NCC2.
What is the InChIKey of 7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OSZGQNIILZTXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-4-7-17(21-3)16(10-12)18-15-11-14(20-2)6-5-13(15)8-9-19-18/h4-7,10-11,18-19H,8-9H2,1-3H3.
What are the key properties of 7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline?
7-methoxy-1-(2-methoxy-5-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 7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106543720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).