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

C14H15NO — CID 66876135

IUPAC8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2cccc(-c3ccco3)c21
InChIInChI=1S/C14H15NO/c1-10-14-11(7-8-15-10)4-2-5-12(14)13-6-3-9-16-13/h2-6,9-10,15H,7-8H2,1H3
InChIKeyRAXVODLWHAUWOL-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.15
Rot. Bonds1

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

8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66876135) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID66876135
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2cccc(-c3ccco3)c21
InChIInChI=1S/C14H15NO/c1-10-14-11(7-8-15-10)4-2-5-12(14)13-6-3-9-16-13/h2-6,9-10,15H,7-8H2,1H3
InChIKeyRAXVODLWHAUWOL-UHFFFAOYSA-N
XLogP3.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 66876135) is 8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline is CC1NCCc2cccc(-c3ccco3)c21.
What is the InChIKey of 8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RAXVODLWHAUWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-14-11(7-8-15-10)4-2-5-12(14)13-6-3-9-16-13/h2-6,9-10,15H,7-8H2,1H3.
What are the key properties of 8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 213.28 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66876135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).