6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline

C19H21NO2 — CID 3766962

IUPAC6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(CCc1ccccc1)=NCC2
InChIInChI=1S/C19H21NO2/c1-21-18-12-15-10-11-20-17(16(15)13-19(18)22-2)9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyOVLGDRCDLSLUAP-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.68
Rot. Bonds5

About 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline

6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline (PubChem CID 3766962) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline
PubChem CID3766962
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(CCc1ccccc1)=NCC2
InChIInChI=1S/C19H21NO2/c1-21-18-12-15-10-11-20-17(16(15)13-19(18)22-2)9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyOVLGDRCDLSLUAP-UHFFFAOYSA-N
XLogP3.68
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tofisopam
CID 5502
Dextofisopam
CID 204105
1-((3,4-Dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
CID 22176
Levotofisopam
CID 7048810
3,4-Dihydro-6,7-dimethoxyisoquinoline
CID 30058
Diproteverine
CID 50463
Sch-12679
CID 5024
6,7-Dimethoxy-1-phenyl-3,4-dihydroisoquinoline
CID 622378
3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline
CID 22652
2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)aniline
CID 2818653
1-(2,6-Dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 334136
1-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 429249

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline (CID 3766962) is 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline is COc1cc2c(cc1OC)C(CCc1ccccc1)=NCC2.
What is the InChIKey of 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline?
The InChIKey is OVLGDRCDLSLUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-21-18-12-15-10-11-20-17(16(15)13-19(18)22-2)9-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline?
6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline has a molecular weight of 295.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 3766962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).