(3-methylphenyl)methylhydrazine

C8H12N2 — CID 16774220

IUPAC(3-methylphenyl)methylhydrazine
SMILESCc1cccc(CNN)c1
InChIInChI=1S/C8H12N2/c1-7-3-2-4-8(5-7)6-10-9/h2-5,10H,6,9H2,1H3
InChIKeyLRDZBVAFUXSPGH-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.96
Rot. Bonds2

About (3-methylphenyl)methylhydrazine

(3-methylphenyl)methylhydrazine (PubChem CID 16774220) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (3-methylphenyl)methylhydrazine.

Molecular Properties

Compound Name(3-methylphenyl)methylhydrazine
PubChem CID16774220
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(3-methylphenyl)methylhydrazine
SMILESCc1cccc(CNN)c1
InChIInChI=1S/C8H12N2/c1-7-3-2-4-8(5-7)6-10-9/h2-5,10H,6,9H2,1H3
InChIKeyLRDZBVAFUXSPGH-UHFFFAOYSA-N
XLogP0.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (3-methylphenyl)methylhydrazine?
The IUPAC name of (3-methylphenyl)methylhydrazine (CID 16774220) is (3-methylphenyl)methylhydrazine.
What is the SMILES notation for (3-methylphenyl)methylhydrazine?
The canonical SMILES for (3-methylphenyl)methylhydrazine is Cc1cccc(CNN)c1.
What is the InChIKey of (3-methylphenyl)methylhydrazine?
The InChIKey is LRDZBVAFUXSPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-3-2-4-8(5-7)6-10-9/h2-5,10H,6,9H2,1H3.
What are the key properties of (3-methylphenyl)methylhydrazine?
(3-methylphenyl)methylhydrazine has a molecular weight of 136.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methylhydrazine is sourced from PubChem (CID 16774220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).