6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline

C12H17NO — CID 169125392

IUPAC6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOCc1cc2c(cc1C)CNCC2
InChIInChI=1S/C12H17NO/c1-9-5-11-7-13-4-3-10(11)6-12(9)8-14-2/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyUXMRJOCPXCJNMT-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.79
Rot. Bonds2

About 6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline

6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 169125392) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID169125392
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOCc1cc2c(cc1C)CNCC2
InChIInChI=1S/C12H17NO/c1-9-5-11-7-13-4-3-10(11)6-12(9)8-14-2/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyUXMRJOCPXCJNMT-UHFFFAOYSA-N
XLogP1.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 144980703
ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 166464794
8-(methoxymethyl)-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 67380685
ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145372798
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine
CID 83957041
6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 168889822
7-chloro-6-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 84666630
6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 168888866
6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 144980713
7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83957040
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 82279765

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline (CID 169125392) is 6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline is COCc1cc2c(cc1C)CNCC2.
What is the InChIKey of 6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UXMRJOCPXCJNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-11-7-13-4-3-10(11)6-12(9)8-14-2/h5-6,13H,3-4,7-8H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline?
6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 191.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 169125392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).