2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine

C19H18N2O2 — CID 70844181

IUPAC2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine
SMILESCCn1c(-c2ccc3occc3c2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C19H18N2O2/c1-3-21-16-11-14(22-2)5-6-15(16)18(20)19(21)13-4-7-17-12(10-13)8-9-23-17/h4-11H,3,20H2,1-2H3
InChIKeyIWUKKARPSIBOHL-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.67
Rot. Bonds3

About 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine

2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine (PubChem CID 70844181) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine
PubChem CID70844181
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine
SMILESCCn1c(-c2ccc3occc3c2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C19H18N2O2/c1-3-21-16-11-14(22-2)5-6-15(16)18(20)19(21)13-4-7-17-12(10-13)8-9-23-17/h4-11H,3,20H2,1-2H3
InChIKeyIWUKKARPSIBOHL-UHFFFAOYSA-N
XLogP4.67
TPSA53.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine?
The IUPAC name of 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine (CID 70844181) is 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine?
The canonical SMILES for 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine is CCn1c(-c2ccc3occc3c2)c(N)c2ccc(OC)cc21.
What is the InChIKey of 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine?
The InChIKey is IWUKKARPSIBOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-21-16-11-14(22-2)5-6-15(16)18(20)19(21)13-4-7-17-12(10-13)8-9-23-17/h4-11H,3,20H2,1-2H3.
What are the key properties of 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine?
2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine has a molecular weight of 306.37 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine is sourced from PubChem (CID 70844181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).