2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine

C9H10ClN3 — CID 123285574

IUPAC2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine
SMILES[H]/N=C/C/N=N/c1ccc(Cl)cc1C
InChIInChI=1S/C9H10ClN3/c1-7-6-8(10)2-3-9(7)13-12-5-4-11/h2-4,6,11H,5H2,1H3/b11-4+,13-12+
InChIKeyVNQZACPMQKCIIB-ZFHDJKDPSA-N
MW195.65 g/mol
LogP3.38
Rot. Bonds3

About 2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine

2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine (PubChem CID 123285574) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine
PubChem CID123285574
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine
SMILES[H]/N=C/C/N=N/c1ccc(Cl)cc1C
InChIInChI=1S/C9H10ClN3/c1-7-6-8(10)2-3-9(7)13-12-5-4-11/h2-4,6,11H,5H2,1H3/b11-4+,13-12+
InChIKeyVNQZACPMQKCIIB-ZFHDJKDPSA-N
XLogP3.38
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 53.38
H-Bond Donors ≤ 51
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'}

Analyze 2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine
CID 123539241
benzyl-(4-chloro-2-methylphenyl)diazene
CID 54063455
2-[(3-methylphenyl)diazenyl]ethanimine
CID 123458164
N-(4-chloro-2-methylphenyl)butan-2-imine
CID 138749574
N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide
CID 71436952
N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline
CID 71395427
methyl N-(4-chloro-2-methylphenyl)ethanimidothioate
CID 163694304
4-[(4-chloro-2-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine
CID 137001246
4-chloro-1-fluoro-2-methylbenzene;chloromethane;ethane;propane;prop-1-ene
CID 143325072
5-(4-chloro-2-methylphenyl)iminofuran-2-one
CID 12512017
N-(4-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride
CID 21433368
4-chloro-N-(4-chloro-2-methylphenyl)dithiazol-5-imine
CID 1471255

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine (CID 123285574) is 2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine is [H]/N=C/C/N=N/c1ccc(Cl)cc1C.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine?
The InChIKey is VNQZACPMQKCIIB-ZFHDJKDPSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-7-6-8(10)2-3-9(7)13-12-5-4-11/h2-4,6,11H,5H2,1H3/b11-4+,13-12+.
What are the key properties of 2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine?
2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine has a molecular weight of 195.65 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine is sourced from PubChem (CID 123285574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).