[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine

C16H17IN2O2 — CID 105310293

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)c1cccc2c1OCCO2
InChIInChI=1S/C16H17IN2O2/c17-12-6-4-11(5-7-12)10-14(19-18)13-2-1-3-15-16(13)21-9-8-20-15/h1-7,14,19H,8-10,18H2
InChIKeySLEYQUJRISQBJH-UHFFFAOYSA-N
MW396.23 g/mol
LogP2.81
Rot. Bonds4

About [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine

[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine (PubChem CID 105310293) has the molecular formula C16H17IN2O2 and a molecular weight of 396.23 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine
PubChem CID105310293
Molecular FormulaC16H17IN2O2
Molecular Weight396.23 g/mol
Exact Mass396.03
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)c1cccc2c1OCCO2
InChIInChI=1S/C16H17IN2O2/c17-12-6-4-11(5-7-12)10-14(19-18)13-2-1-3-15-16(13)21-9-8-20-15/h1-7,14,19H,8-10,18H2
InChIKeySLEYQUJRISQBJH-UHFFFAOYSA-N
XLogP2.81
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine
CID 105293760
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322925
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316501
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methylidenepentyl]hydrazine
CID 105320330
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198455
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methylphenyl)ethanol
CID 63016038
[1-(3,4-dihydro-2H-chromen-8-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198432
[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310370
2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
CID 62503751
5-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63542434
5-[1-bromo-2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63018356
[1-(3,4-dihydro-2H-chromen-8-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212546

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine (CID 105310293) is [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine is NNC(Cc1ccc(I)cc1)c1cccc2c1OCCO2.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The InChIKey is SLEYQUJRISQBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O2/c17-12-6-4-11(5-7-12)10-14(19-18)13-2-1-3-15-16(13)21-9-8-20-15/h1-7,14,19H,8-10,18H2.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine?
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine has a molecular weight of 396.23 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine is sourced from PubChem (CID 105310293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).