[5-(chloromethyl)-2-ethylphenyl]hydrazine

C9H13ClN2 — CID 131050759

IUPAC[5-(chloromethyl)-2-ethylphenyl]hydrazine
SMILESCCc1ccc(CCl)cc1NN
InChIInChI=1S/C9H13ClN2/c1-2-8-4-3-7(6-10)5-9(8)12-11/h3-5,12H,2,6,11H2,1H3
InChIKeyMTICCXYRGQJPSV-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.27
Rot. Bonds3

About [5-(chloromethyl)-2-ethylphenyl]hydrazine

[5-(chloromethyl)-2-ethylphenyl]hydrazine (PubChem CID 131050759) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is [5-(chloromethyl)-2-ethylphenyl]hydrazine.

Molecular Properties

Compound Name[5-(chloromethyl)-2-ethylphenyl]hydrazine
PubChem CID131050759
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name[5-(chloromethyl)-2-ethylphenyl]hydrazine
SMILESCCc1ccc(CCl)cc1NN
InChIInChI=1S/C9H13ClN2/c1-2-8-4-3-7(6-10)5-9(8)12-11/h3-5,12H,2,6,11H2,1H3
InChIKeyMTICCXYRGQJPSV-UHFFFAOYSA-N
XLogP2.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 [5-(chloromethyl)-2-ethylphenyl]hydrazine?
The IUPAC name of [5-(chloromethyl)-2-ethylphenyl]hydrazine (CID 131050759) is [5-(chloromethyl)-2-ethylphenyl]hydrazine.
What is the SMILES notation for [5-(chloromethyl)-2-ethylphenyl]hydrazine?
The canonical SMILES for [5-(chloromethyl)-2-ethylphenyl]hydrazine is CCc1ccc(CCl)cc1NN.
What is the InChIKey of [5-(chloromethyl)-2-ethylphenyl]hydrazine?
The InChIKey is MTICCXYRGQJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-2-8-4-3-7(6-10)5-9(8)12-11/h3-5,12H,2,6,11H2,1H3.
What are the key properties of [5-(chloromethyl)-2-ethylphenyl]hydrazine?
[5-(chloromethyl)-2-ethylphenyl]hydrazine has a molecular weight of 184.67 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(chloromethyl)-2-ethylphenyl]hydrazine is sourced from PubChem (CID 131050759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).