5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

C13H19NO2 — CID 64687584

IUPAC5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)C(C)NC2
InChIInChI=1S/C13H19NO2/c1-8-9(2)14-7-10-5-11(15-3)6-12(16-4)13(8)10/h5-6,8-9,14H,7H2,1-4H3
InChIKeyDOVNOHHJNRWDOD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.30
Rot. Bonds2

About 5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64687584) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64687584
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)C(C)NC2
InChIInChI=1S/C13H19NO2/c1-8-9(2)14-7-10-5-11(15-3)6-12(16-4)13(8)10/h5-6,8-9,14H,7H2,1-4H3
InChIKeyDOVNOHHJNRWDOD-UHFFFAOYSA-N
XLogP2.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 64686601
6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375762
(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 122394142
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169849
(1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one
CID 102347263
2-[(2S)-azetidin-2-yl]-3,5-dimethoxyphenol;hydrochloride
CID 171196834
4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine
CID 66229916
(6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene
CID 56654264
(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526
2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
CID 117460943
3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 177376067

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 64687584) is 5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(c(OC)c1)C(C)C(C)NC2.
What is the InChIKey of 5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DOVNOHHJNRWDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-9(2)14-7-10-5-11(15-3)6-12(16-4)13(8)10/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of 5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 221.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64687584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).