ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline

C13H21NO — CID 145416037

IUPACethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC.COc1cc(C)c2c(c1)CCNC2
InChIInChI=1S/C11H15NO.C2H6/c1-8-5-10(13-2)6-9-3-4-12-7-11(8)9;1-2/h5-6,12H,3-4,7H2,1-2H3;1-2H3
InChIKeyYJCIBKHSLMNILH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.68
Rot. Bonds1

About ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline

ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 145416037) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Nameethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID145416037
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC.COc1cc(C)c2c(c1)CCNC2
InChIInChI=1S/C11H15NO.C2H6/c1-8-5-10(13-2)6-9-3-4-12-7-11(8)9;1-2/h5-6,12H,3-4,7H2,1-2H3;1-2H3
InChIKeyYJCIBKHSLMNILH-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline (CID 145416037) is ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline is CC.COc1cc(C)c2c(c1)CCNC2.
What is the InChIKey of ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YJCIBKHSLMNILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-8-5-10(13-2)6-9-3-4-12-7-11(8)9;1-2/h5-6,12H,3-4,7H2,1-2H3;1-2H3.
What are the key properties of ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline?
ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 207.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 145416037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).