5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

C13H19NO2 — CID 64687985

IUPAC5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(OC)c2c1C(C)CNC2C
InChIInChI=1S/C13H19NO2/c1-8-7-14-9(2)13-11(16-4)6-5-10(15-3)12(8)13/h5-6,8-9,14H,7H2,1-4H3
InChIKeyPMPWMPTYYOFTGQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.47
Rot. Bonds2

About 5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64687985) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64687985
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(OC)c2c1C(C)CNC2C
InChIInChI=1S/C13H19NO2/c1-8-7-14-9(2)13-11(16-4)6-5-10(15-3)12(8)13/h5-6,8-9,14H,7H2,1-4H3
InChIKeyPMPWMPTYYOFTGQ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64688199
(1S,4S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-4,8-diol
CID 7055314
(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417509
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598
(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417809
5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84664219
2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine
CID 3362544
4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine
CID 23009517
(1S,4S,11R,14R,21S,24R)-6,9,16,19,26,29-hexamethoxydecacyclo[22.6.1.14,11.114,21.02,23.03,12.05,10.013,22.015,20.025,30]tritriaconta-2,5,7,9,12,15,17,19,22,25,27,29-dodecaene
CID 10531635
(4R)-4-(2,6-dimethoxyphenyl)imidazolidin-2-one
CID 171252504
3,6-dimethoxy-12-oxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 134859431
(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
CID 98162391

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 64687985) is 5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline is COc1ccc(OC)c2c1C(C)CNC2C.
What is the InChIKey of 5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PMPWMPTYYOFTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-7-14-9(2)13-11(16-4)6-5-10(15-3)12(8)13/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of 5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 221.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64687985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).