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

C14H15NO — CID 166247300

IUPAC8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(-c2cccc3c2CNCC3)o1
InChIInChI=1S/C14H15NO/c1-10-5-6-14(16-10)12-4-2-3-11-7-8-15-9-13(11)12/h2-6,15H,7-9H2,1H3
InChIKeyOUQBCHHAOGRKBA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.90
Rot. Bonds1

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

8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 166247300) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID166247300
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(-c2cccc3c2CNCC3)o1
InChIInChI=1S/C14H15NO/c1-10-5-6-14(16-10)12-4-2-3-11-7-8-15-9-13(11)12/h2-6,15H,7-9H2,1H3
InChIKeyOUQBCHHAOGRKBA-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline (CID 166247300) is 8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline is Cc1ccc(-c2cccc3c2CNCC3)o1.
What is the InChIKey of 8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OUQBCHHAOGRKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-5-6-14(16-10)12-4-2-3-11-7-8-15-9-13(11)12/h2-6,15H,7-9H2,1H3.
What are the key properties of 8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline?
8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 213.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 166247300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).