3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline

C17H17NO — CID 102037145

IUPAC3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline
SMILESCOc1ccc(C2Cc3ccccc3C(C)=N2)cc1
InChIInChI=1S/C17H17NO/c1-12-16-6-4-3-5-14(16)11-17(18-12)13-7-9-15(19-2)10-8-13/h3-10,17H,11H2,1-2H3
InChIKeyJDECGKDLCBILOL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.80
Rot. Bonds2

About 3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline

3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline (PubChem CID 102037145) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline
PubChem CID102037145
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline
SMILESCOc1ccc(C2Cc3ccccc3C(C)=N2)cc1
InChIInChI=1S/C17H17NO/c1-12-16-6-4-3-5-14(16)11-17(18-12)13-7-9-15(19-2)10-8-13/h3-10,17H,11H2,1-2H3
InChIKeyJDECGKDLCBILOL-UHFFFAOYSA-N
XLogP3.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline 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

6,7-Dimethoxy-1-phenyl-3,4-dihydroisoquinoline
CID 622378
1-((3,4-Dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
CID 22176
1-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 429249
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-3,4-dihydroisoquinoline
CID 22332367
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
CID 872504
6,7-Dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline
CID 3766962
1-Benzyl-6,7-dimethoxy-3,4-dihydro-isoquinoline
CID 422931
1-(3,4-Dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolinium chloride
CID 12317241
Memotine
CID 25350
Memotine Hydrochloride
CID 9948392
1-[(3,4-Dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride
CID 12786859
1-[(1E,3E)-penta-1,3-dienyl]-6-propoxy-3,4-dihydroisoquinoline;hydrobromide
CID 44531233

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline (CID 102037145) is 3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline is COc1ccc(C2Cc3ccccc3C(C)=N2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline?
The InChIKey is JDECGKDLCBILOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-16-6-4-3-5-14(16)11-17(18-12)13-7-9-15(19-2)10-8-13/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline?
3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline has a molecular weight of 251.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 102037145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).