6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

C16H16N2O2 — CID 62204823

IUPAC6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESNc1cc2c(cc1N1Cc3ccccc3C1)OCCO2
InChIInChI=1S/C16H16N2O2/c17-13-7-15-16(20-6-5-19-15)8-14(13)18-9-11-3-1-2-4-12(11)10-18/h1-4,7-8H,5-6,9-10,17H2
InChIKeyZNLZFJSNBAWGST-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.56
Rot. Bonds1

About 6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 62204823) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID62204823
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESNc1cc2c(cc1N1Cc3ccccc3C1)OCCO2
InChIInChI=1S/C16H16N2O2/c17-13-7-15-16(20-6-5-19-15)8-14(13)18-9-11-3-1-2-4-12(11)10-18/h1-4,7-8H,5-6,9-10,17H2
InChIKeyZNLZFJSNBAWGST-UHFFFAOYSA-N
XLogP2.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dihydroisoindol-4-amine
CID 43370137
4-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)aniline
CID 115468958
6-piperazin-1-yl-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62137118
5-bromo-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-fluoroaniline
CID 66112114
4-amino-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzamide
CID 63356618
6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 103530636
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridin-3-amine
CID 63189288
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-methylaniline
CID 63189674
(NE)-N-[1-[6-(1,3-dihydroisoindol-2-yl)-1,3-benzodioxol-5-yl]ethylidene]hydroxylamine
CID 6986783
4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine
CID 106750709
6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43592539
6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43824741

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (CID 62204823) is 6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is Nc1cc2c(cc1N1Cc3ccccc3C1)OCCO2.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is ZNLZFJSNBAWGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-13-7-15-16(20-6-5-19-15)8-14(13)18-9-11-3-1-2-4-12(11)10-18/h1-4,7-8H,5-6,9-10,17H2.
What are the key properties of 6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 268.32 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 62204823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).