ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline

C15H27NO — CID 166464794

IUPACethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC.CC.COc1cc2c(cc1C)CNCC2
InChIInChI=1S/C11H15NO.2C2H6/c1-8-5-10-7-12-4-3-9(10)6-11(8)13-2;2*1-2/h5-6,12H,3-4,7H2,1-2H3;2*1-2H3
InChIKeyMQXFTZMAQRASMK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.70
Rot. Bonds1

About ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline

ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 166464794) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Nameethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID166464794
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC.CC.COc1cc2c(cc1C)CNCC2
InChIInChI=1S/C11H15NO.2C2H6/c1-8-5-10-7-12-4-3-9(10)6-11(8)13-2;2*1-2/h5-6,12H,3-4,7H2,1-2H3;2*1-2H3
InChIKeyMQXFTZMAQRASMK-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 82279765
ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145372798
6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 169125392
6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 144980713
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine
CID 83957041
7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83957040
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 82158690
6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 168889822
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416037
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline (CID 166464794) is ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline is CC.CC.COc1cc2c(cc1C)CNCC2.
What is the InChIKey of ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MQXFTZMAQRASMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.2C2H6/c1-8-5-10-7-12-4-3-9(10)6-11(8)13-2;2*1-2/h5-6,12H,3-4,7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline?
ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 237.39 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 166464794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).