2-phenoxyethylhydrazine

C8H12N2O — CID 20217

IUPAC2-phenoxyethylhydrazine
SMILESNNCCOc1ccccc1
InChIInChI=1S/C8H12N2O/c9-10-6-7-11-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
InChIKeyJVQBFZMPFQQOMQ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.53
Rot. Bonds4

About 2-phenoxyethylhydrazine

2-phenoxyethylhydrazine (PubChem CID 20217) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-phenoxyethylhydrazine.

Molecular Properties

Compound Name2-phenoxyethylhydrazine
PubChem CID20217
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-phenoxyethylhydrazine
SMILESNNCCOc1ccccc1
InChIInChI=1S/C8H12N2O/c9-10-6-7-11-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
InChIKeyJVQBFZMPFQQOMQ-UHFFFAOYSA-N
XLogP0.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethylhydrazine?
The IUPAC name of 2-phenoxyethylhydrazine (CID 20217) is 2-phenoxyethylhydrazine.
What is the SMILES notation for 2-phenoxyethylhydrazine?
The canonical SMILES for 2-phenoxyethylhydrazine is NNCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethylhydrazine?
The InChIKey is JVQBFZMPFQQOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-10-6-7-11-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2.
What are the key properties of 2-phenoxyethylhydrazine?
2-phenoxyethylhydrazine has a molecular weight of 152.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethylhydrazine is sourced from PubChem (CID 20217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).