1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole

C19H19NO — CID 116620301

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole
SMILESCc1cccc2c1ccn2CCc1ccc2c(c1)CCO2
InChIInChI=1S/C19H19NO/c1-14-3-2-4-18-17(14)8-11-20(18)10-7-15-5-6-19-16(13-15)9-12-21-19/h2-6,8,11,13H,7,9-10,12H2,1H3
InChIKeyRDYYNRIXOHHCGP-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.13
Rot. Bonds3

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole (PubChem CID 116620301) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole
PubChem CID116620301
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole
SMILESCc1cccc2c1ccn2CCc1ccc2c(c1)CCO2
InChIInChI=1S/C19H19NO/c1-14-3-2-4-18-17(14)8-11-20(18)10-7-15-5-6-19-16(13-15)9-12-21-19/h2-6,8,11,13H,7,9-10,12H2,1H3
InChIKeyRDYYNRIXOHHCGP-UHFFFAOYSA-N
XLogP4.13
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5,6-dimethylpyrimidin-4-one
CID 146130232
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-(hydroxymethyl)pyridin-2-one
CID 167822879
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodo-4-methylpyrazole
CID 79787089
5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one
CID 66311095
6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one
CID 114581740
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
CID 65446900
6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one
CID 114585245
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione
CID 65442473
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpyrrolidine
CID 173048470
5-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrimidine-2,4-dione
CID 66424176

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole (CID 116620301) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole is Cc1cccc2c1ccn2CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole?
The InChIKey is RDYYNRIXOHHCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-3-2-4-18-17(14)8-11-20(18)10-7-15-5-6-19-16(13-15)9-12-21-19/h2-6,8,11,13H,7,9-10,12H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole has a molecular weight of 277.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole is sourced from PubChem (CID 116620301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).