1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline

C15H17NO — CID 66876100

IUPAC1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(-c2cccc3c2C(C)NCC3)o1
InChIInChI=1S/C15H17NO/c1-10-6-7-14(17-10)13-5-3-4-12-8-9-16-11(2)15(12)13/h3-7,11,16H,8-9H2,1-2H3
InChIKeyOZYSVQSCIATODG-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.46
Rot. Bonds1

About 1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline

1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66876100) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID66876100
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(-c2cccc3c2C(C)NCC3)o1
InChIInChI=1S/C15H17NO/c1-10-6-7-14(17-10)13-5-3-4-12-8-9-16-11(2)15(12)13/h3-7,11,16H,8-9H2,1-2H3
InChIKeyOZYSVQSCIATODG-UHFFFAOYSA-N
XLogP3.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline (CID 66876100) is 1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline is Cc1ccc(-c2cccc3c2C(C)NCC3)o1.
What is the InChIKey of 1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OZYSVQSCIATODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-6-7-14(17-10)13-5-3-4-12-8-9-16-11(2)15(12)13/h3-7,11,16H,8-9H2,1-2H3.
What are the key properties of 1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline?
1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 227.31 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66876100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).