5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine

C16H14N2O2 — CID 70796354

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine
SMILESNc1c[nH]c2ccc(-c3ccc4c(c3)OCCO4)cc12
InChIInChI=1S/C16H14N2O2/c17-13-9-18-14-3-1-10(7-12(13)14)11-2-4-15-16(8-11)20-6-5-19-15/h1-4,7-9,18H,5-6,17H2
InChIKeyUZFMRVCHMPPUIO-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.19
Rot. Bonds1

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine (PubChem CID 70796354) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine
PubChem CID70796354
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine
SMILESNc1c[nH]c2ccc(-c3ccc4c(c3)OCCO4)cc12
InChIInChI=1S/C16H14N2O2/c17-13-9-18-14-3-1-10(7-12(13)14)11-2-4-15-16(8-11)20-6-5-19-15/h1-4,7-9,18H,5-6,17H2
InChIKeyUZFMRVCHMPPUIO-UHFFFAOYSA-N
XLogP3.19
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine (CID 70796354) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine is Nc1c[nH]c2ccc(-c3ccc4c(c3)OCCO4)cc12.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine?
The InChIKey is UZFMRVCHMPPUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-13-9-18-14-3-1-10(7-12(13)14)11-2-4-15-16(8-11)20-6-5-19-15/h1-4,7-9,18H,5-6,17H2.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine has a molecular weight of 266.30 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-amine is sourced from PubChem (CID 70796354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).