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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Related Compounds

[4-(3-amino-1H-indol-5-yl)phenyl]methanol
CID 70796369
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline
CID 82088714
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole
CID 116698435
5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)aniline
CID 81274653
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
CID 82766369
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole
CID 67816809
6-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-3-carboxylic acid
CID 129225366
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole
CID 147188821

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).