2-(4-chlorophenoxy)ethylhydrazine;hydrochloride

C8H12Cl2N2O — CID 3053302

IUPAC2-(4-chlorophenoxy)ethylhydrazine;hydrochloride
SMILESCl.NNCCOc1ccc(Cl)cc1
InChIInChI=1S/C8H11ClN2O.ClH/c9-7-1-3-8(4-2-7)12-6-5-11-10;/h1-4,11H,5-6,10H2;1H
InChIKeyPQTJCBUNRRSIQY-UHFFFAOYSA-N
MW223.10 g/mol
LogP1.60
Rot. Bonds4

About 2-(4-chlorophenoxy)ethylhydrazine;hydrochloride

2-(4-chlorophenoxy)ethylhydrazine;hydrochloride (PubChem CID 3053302) has the molecular formula C8H12Cl2N2O and a molecular weight of 223.10 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethylhydrazine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethylhydrazine;hydrochloride
PubChem CID3053302
Molecular FormulaC8H12Cl2N2O
Molecular Weight223.10 g/mol
Exact Mass222.03
IUPAC Name2-(4-chlorophenoxy)ethylhydrazine;hydrochloride
SMILESCl.NNCCOc1ccc(Cl)cc1
InChIInChI=1S/C8H11ClN2O.ClH/c9-7-1-3-8(4-2-7)12-6-5-11-10;/h1-4,11H,5-6,10H2;1H
InChIKeyPQTJCBUNRRSIQY-UHFFFAOYSA-N
XLogP1.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 51.60
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-(4-chlorophenoxy)ethylhydrazine;hydrochloride?
The IUPAC name of 2-(4-chlorophenoxy)ethylhydrazine;hydrochloride (CID 3053302) is 2-(4-chlorophenoxy)ethylhydrazine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenoxy)ethylhydrazine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenoxy)ethylhydrazine;hydrochloride is Cl.NNCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethylhydrazine;hydrochloride?
The InChIKey is PQTJCBUNRRSIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O.ClH/c9-7-1-3-8(4-2-7)12-6-5-11-10;/h1-4,11H,5-6,10H2;1H.
What are the key properties of 2-(4-chlorophenoxy)ethylhydrazine;hydrochloride?
2-(4-chlorophenoxy)ethylhydrazine;hydrochloride has a molecular weight of 223.10 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethylhydrazine;hydrochloride is sourced from PubChem (CID 3053302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).