3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline

C14H15N3O3 — CID 143691138

IUPAC3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline
SMILESNNOc1cc(-c2cccc(N)c2)cc2c1OCCO2
InChIInChI=1S/C14H15N3O3/c15-11-3-1-2-9(6-11)10-7-12-14(19-5-4-18-12)13(8-10)20-17-16/h1-3,6-8,17H,4-5,15-16H2
InChIKeyCJDDMWVCVXPDAF-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.46
Rot. Bonds3

About 3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline

3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline (PubChem CID 143691138) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline.

Molecular Properties

Compound Name3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline
PubChem CID143691138
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline
SMILESNNOc1cc(-c2cccc(N)c2)cc2c1OCCO2
InChIInChI=1S/C14H15N3O3/c15-11-3-1-2-9(6-11)10-7-12-14(19-5-4-18-12)13(8-10)20-17-16/h1-3,6-8,17H,4-5,15-16H2
InChIKeyCJDDMWVCVXPDAF-UHFFFAOYSA-N
XLogP1.46
TPSA91.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline?
The IUPAC name of 3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline (CID 143691138) is 3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline.
What is the SMILES notation for 3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline?
The canonical SMILES for 3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline is NNOc1cc(-c2cccc(N)c2)cc2c1OCCO2.
What is the InChIKey of 3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline?
The InChIKey is CJDDMWVCVXPDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-11-3-1-2-9(6-11)10-7-12-14(19-5-4-18-12)13(8-10)20-17-16/h1-3,6-8,17H,4-5,15-16H2.
What are the key properties of 3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline?
3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline has a molecular weight of 273.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydrazinyloxy-2,3-dihydro-1,4-benzodioxin-7-yl)aniline is sourced from PubChem (CID 143691138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).