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

C17H20N2O2 — CID 105230188

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
SMILESCc1cccc(CC(NN)C2COc3ccccc3O2)c1
InChIInChI=1S/C17H20N2O2/c1-12-5-4-6-13(9-12)10-14(19-18)17-11-20-15-7-2-3-8-16(15)21-17/h2-9,14,17,19H,10-11,18H2,1H3
InChIKeyKGFQGMUVNBXRJE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.21
Rot. Bonds4

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

[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine (PubChem CID 105230188) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
PubChem CID105230188
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
SMILESCc1cccc(CC(NN)C2COc3ccccc3O2)c1
InChIInChI=1S/C17H20N2O2/c1-12-5-4-6-13(9-12)10-14(19-18)17-11-20-15-7-2-3-8-16(15)21-17/h2-9,14,17,19H,10-11,18H2,1H3
InChIKeyKGFQGMUVNBXRJE-UHFFFAOYSA-N
XLogP2.21
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-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
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 65352448
[1-(2,3-dihydro-1H-inden-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105234150
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine
CID 105230151
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]hydrazine
CID 105230271
[1-(2,2-dimethylcyclopropyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 107005554
1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine
CID 105230212
N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine
CID 65352203
[1-(2-methylcyclopentyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 107193333
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
CID 105230267
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine
CID 107895095

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine (CID 105230188) is [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine is Cc1cccc(CC(NN)C2COc3ccccc3O2)c1.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine?
The InChIKey is KGFQGMUVNBXRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-4-6-13(9-12)10-14(19-18)17-11-20-15-7-2-3-8-16(15)21-17/h2-9,14,17,19H,10-11,18H2,1H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine?
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine has a molecular weight of 284.36 g/mol, XLogP of 2.21, 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-3-yl)-2-(3-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105230188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).