1-[(4-chlorophenoxy)methyl]-2-methylhydrazine

C8H11ClN2O — CID 58743550

IUPAC1-[(4-chlorophenoxy)methyl]-2-methylhydrazine
SMILESCNNCOc1ccc(Cl)cc1
InChIInChI=1S/C8H11ClN2O/c1-10-11-6-12-8-4-2-7(9)3-5-8/h2-5,10-11H,6H2,1H3
InChIKeyHCMLPCMBWSUZCU-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.40
Rot. Bonds4

About 1-[(4-chlorophenoxy)methyl]-2-methylhydrazine

1-[(4-chlorophenoxy)methyl]-2-methylhydrazine (PubChem CID 58743550) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]-2-methylhydrazine
PubChem CID58743550
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name1-[(4-chlorophenoxy)methyl]-2-methylhydrazine
SMILESCNNCOc1ccc(Cl)cc1
InChIInChI=1S/C8H11ClN2O/c1-10-11-6-12-8-4-2-7(9)3-5-8/h2-5,10-11H,6H2,1H3
InChIKeyHCMLPCMBWSUZCU-UHFFFAOYSA-N
XLogP1.40
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 1-[(4-chlorophenoxy)methyl]-2-methylhydrazine?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]-2-methylhydrazine (CID 58743550) is 1-[(4-chlorophenoxy)methyl]-2-methylhydrazine.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]-2-methylhydrazine?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]-2-methylhydrazine is CNNCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]-2-methylhydrazine?
The InChIKey is HCMLPCMBWSUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-10-11-6-12-8-4-2-7(9)3-5-8/h2-5,10-11H,6H2,1H3.
What are the key properties of 1-[(4-chlorophenoxy)methyl]-2-methylhydrazine?
1-[(4-chlorophenoxy)methyl]-2-methylhydrazine has a molecular weight of 186.64 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]-2-methylhydrazine is sourced from PubChem (CID 58743550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).