2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline

C20H25NO2 — CID 3725456

IUPAC2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)N(Cc1ccccc1)C(C)C2
InChIInChI=1S/C20H25NO2/c1-14-10-17-11-18(22-3)12-19(23-4)20(17)15(2)21(14)13-16-8-6-5-7-9-16/h5-9,11-12,14-15H,10,13H2,1-4H3
InChIKeyRGYCJCNJSUCUCI-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.21
Rot. Bonds4

About 2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline

2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 3725456) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID3725456
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)N(Cc1ccccc1)C(C)C2
InChIInChI=1S/C20H25NO2/c1-14-10-17-11-18(22-3)12-19(23-4)20(17)15(2)21(14)13-16-8-6-5-7-9-16/h5-9,11-12,14-15H,10,13H2,1-4H3
InChIKeyRGYCJCNJSUCUCI-UHFFFAOYSA-N
XLogP4.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,3R)-2-benzyl-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl]-8-methoxy-6-methylnaphthalen-1-ol
CID 101086411
(1S,3S)-2-benzyl-5-iodo-8-methoxy-1,3-dimethyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 11071310
2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 70688134
(2-benzyl-3,4-dihydro-1H-isoquinolin-3-yl)-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 70814980
1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
CID 134307745
(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 122394142
butyl (1R)-2-benzyl-6,8-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 101157458
(1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one
CID 102347263
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473
[2-[(2-chlorophenyl)methyl]-5,7-dimethoxy-1,3-dihydroisoindol-1-yl]methanamine
CID 110449874
(2R)-1-benzyl-2-(2,6-dimethoxyphenyl)pyrrolidine
CID 124500714
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 110393885

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline (CID 3725456) is 2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(c(OC)c1)C(C)N(Cc1ccccc1)C(C)C2.
What is the InChIKey of 2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is RGYCJCNJSUCUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-10-17-11-18(22-3)12-19(23-4)20(17)15(2)21(14)13-16-8-6-5-7-9-16/h5-9,11-12,14-15H,10,13H2,1-4H3.
What are the key properties of 2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline?
2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 311.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 3725456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).