1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline

C18H19NO2 — CID 106543799

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2c1ccc2c(c1)CCO2
InChIInChI=1S/C18H19NO2/c1-20-15-3-4-16-12(11-15)6-8-19-18(16)14-2-5-17-13(10-14)7-9-21-17/h2-5,10-11,18-19H,6-9H2,1H3
InChIKeyBHQNHAIIYJSEPQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.87
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline

1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106543799) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID106543799
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2c1ccc2c(c1)CCO2
InChIInChI=1S/C18H19NO2/c1-20-15-3-4-16-12(11-15)6-8-19-18(16)14-2-5-17-13(10-14)7-9-21-17/h2-5,10-11,18-19H,6-9H2,1H3
InChIKeyBHQNHAIIYJSEPQ-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butyl-4-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3365877
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
1-(4-iodophenyl)-7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 131988987
6-methoxy-1-(2,3,4-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543754
4-(2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methoxyphenol
CID 5028165
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 4019885
6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
CID 102340504
1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5023309
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
CID 129367473
6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 3471481

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 106543799) is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)CCNC2c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BHQNHAIIYJSEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-15-3-4-16-12(11-15)6-8-19-18(16)14-2-5-17-13(10-14)7-9-21-17/h2-5,10-11,18-19H,6-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 281.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106543799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).