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

C18H21NO — CID 106781910

IUPAC5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc(C)cc(C)c1-c1cccc2c1CCNC2
InChIInChI=1S/C18H21NO/c1-12-9-13(2)18(17(10-12)20-3)16-6-4-5-14-11-19-8-7-15(14)16/h4-6,9-10,19H,7-8,11H2,1-3H3
InChIKeyUTAAKOZXDDBFJP-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.62
Rot. Bonds2

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

5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106781910) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106781910
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc(C)cc(C)c1-c1cccc2c1CCNC2
InChIInChI=1S/C18H21NO/c1-12-9-13(2)18(17(10-12)20-3)16-6-4-5-14-11-19-8-7-15(14)16/h4-6,9-10,19H,7-8,11H2,1-3H3
InChIKeyUTAAKOZXDDBFJP-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol
CID 56862165
2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 56875194
2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline
CID 107602919
5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56877313
5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778058
3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 56874025
2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145042992
6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline
CID 56865850
2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
CID 106681100
5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83874749
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 106781910) is 5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline is COc1cc(C)cc(C)c1-c1cccc2c1CCNC2.
What is the InChIKey of 5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UTAAKOZXDDBFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-9-13(2)18(17(10-12)20-3)16-6-4-5-14-11-19-8-7-15(14)16/h4-6,9-10,19H,7-8,11H2,1-3H3.
What are the key properties of 5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 267.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106781910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).