[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine

C13H20N2O3 — CID 105230151

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)C1COc2ccccc2O1
InChIInChI=1S/C13H20N2O3/c1-2-7-16-8-10(15-14)13-9-17-11-5-3-4-6-12(11)18-13/h3-6,10,13,15H,2,7-9,14H2,1H3
InChIKeyUSDAIFOVPSOYSW-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.08
Rot. Bonds6

About [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine

[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine (PubChem CID 105230151) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine
PubChem CID105230151
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)C1COc2ccccc2O1
InChIInChI=1S/C13H20N2O3/c1-2-7-16-8-10(15-14)13-9-17-11-5-3-4-6-12(11)18-13/h3-6,10,13,15H,2,7-9,14H2,1H3
InChIKeyUSDAIFOVPSOYSW-UHFFFAOYSA-N
XLogP1.08
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-3-yl)-N-methylbutan-1-amine
CID 65352769
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
CID 105230267
1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine
CID 105230212
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine
CID 107895095
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105230188
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(furan-3-yl)ethyl]hydrazine
CID 105230199
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105230174
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine
CID 105230271
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-propylbut-3-yn-1-amine
CID 65352058
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(propan-2-ylamino)propan-1-ol
CID 71633036
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115979218

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine (CID 105230151) is [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine is CCCOCC(NN)C1COc2ccccc2O1.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine?
The InChIKey is USDAIFOVPSOYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-7-16-8-10(15-14)13-9-17-11-5-3-4-6-12(11)18-13/h3-6,10,13,15H,2,7-9,14H2,1H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine?
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine has a molecular weight of 252.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine is sourced from PubChem (CID 105230151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).