8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline

C17H17NO — CID 106781675

IUPAC8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(-c3cccc4c3OCC4)c1)CNCC2
InChIInChI=1S/C17H17NO/c1-3-12-7-9-18-11-16(12)14(5-1)15-6-2-4-13-8-10-19-17(13)15/h1-6,18H,7-11H2
InChIKeyIWGIFMNQAYBAEJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.93
Rot. Bonds1

About 8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline

8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106781675) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106781675
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(-c3cccc4c3OCC4)c1)CNCC2
InChIInChI=1S/C17H17NO/c1-3-12-7-9-18-11-16(12)14(5-1)15-6-2-4-13-8-10-19-17(13)15/h1-6,18H,7-11H2
InChIKeyIWGIFMNQAYBAEJ-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 142903314
8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 103144140
5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde
CID 169333519
8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 166247300
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
CID 68577904
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran
CID 114747098
9-pyridin-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 68578553
5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117290116
7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran
CID 173176078
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline (CID 106781675) is 8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(c(-c3cccc4c3OCC4)c1)CNCC2.
What is the InChIKey of 8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IWGIFMNQAYBAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-12-7-9-18-11-16(12)14(5-1)15-6-2-4-13-8-10-19-17(13)15/h1-6,18H,7-11H2.
What are the key properties of 8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline?
8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 251.33 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106781675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).