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

C14H15NO — CID 66875823

IUPAC7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2ccc(-c3ccco3)cc21
InChIInChI=1S/C14H15NO/c1-10-13-9-12(14-3-2-8-16-14)5-4-11(13)6-7-15-10/h2-5,8-10,15H,6-7H2,1H3
InChIKeyQUFCWIQSIFKNQS-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.15
Rot. Bonds1

About 7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline

7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66875823) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID66875823
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2ccc(-c3ccco3)cc21
InChIInChI=1S/C14H15NO/c1-10-13-9-12(14-3-2-8-16-14)5-4-11(13)6-7-15-10/h2-5,8-10,15H,6-7H2,1H3
InChIKeyQUFCWIQSIFKNQS-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 7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 66875823) is 7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline is CC1NCCc2ccc(-c3ccco3)cc21.
What is the InChIKey of 7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QUFCWIQSIFKNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-13-9-12(14-3-2-8-16-14)5-4-11(13)6-7-15-10/h2-5,8-10,15H,6-7H2,1H3.
What are the key properties of 7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
7-(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 7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66875823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).