6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

C12H17NO2 — CID 62375762

IUPAC6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)NCC2
InChIInChI=1S/C12H17NO2/c1-8-12-9(4-5-13-8)6-10(14-2)7-11(12)15-3/h6-8,13H,4-5H2,1-3H3
InChIKeyCFLFVRDTBKUFGC-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.91
Rot. Bonds2

About 6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62375762) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID62375762
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)NCC2
InChIInChI=1S/C12H17NO2/c1-8-12-9(4-5-13-8)6-10(14-2)7-11(12)15-3/h6-8,13H,4-5H2,1-3H3
InChIKeyCFLFVRDTBKUFGC-UHFFFAOYSA-N
XLogP1.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 122394142
1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 66606572
5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687584
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
5,7-dimethoxy-4-methyl-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 64686601
5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84664219
1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 84656928
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
5,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383413
(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 62375762) is 6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(c(OC)c1)C(C)NCC2.
What is the InChIKey of 6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CFLFVRDTBKUFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-12-9(4-5-13-8)6-10(14-2)7-11(12)15-3/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 207.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62375762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).