2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine

C10H12ClN3 — CID 123539241

IUPAC2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine
SMILESC/N=C/C/N=N/c1ccc(Cl)cc1C
InChIInChI=1S/C10H12ClN3/c1-8-7-9(11)3-4-10(8)14-13-6-5-12-2/h3-5,7H,6H2,1-2H3/b12-5+,14-13+
InChIKeyDFFPKOJYJMELDT-MYIUGQQYSA-N
MW209.68 g/mol
LogP3.43
Rot. Bonds3

About 2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine

2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine (PubChem CID 123539241) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine
PubChem CID123539241
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine
SMILESC/N=C/C/N=N/c1ccc(Cl)cc1C
InChIInChI=1S/C10H12ClN3/c1-8-7-9(11)3-4-10(8)14-13-6-5-12-2/h3-5,7H,6H2,1-2H3/b12-5+,14-13+
InChIKeyDFFPKOJYJMELDT-MYIUGQQYSA-N
XLogP3.43
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine (CID 123539241) is 2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine is C/N=C/C/N=N/c1ccc(Cl)cc1C.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine?
The InChIKey is DFFPKOJYJMELDT-MYIUGQQYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-8-7-9(11)3-4-10(8)14-13-6-5-12-2/h3-5,7H,6H2,1-2H3/b12-5+,14-13+.
What are the key properties of 2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine?
2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine has a molecular weight of 209.68 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine is sourced from PubChem (CID 123539241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).