4-[(3-chloro-4-methylphenyl)diazenyl]aniline

C13H12ClN3 — CID 118893788

IUPAC4-[(3-chloro-4-methylphenyl)diazenyl]aniline
SMILESCc1ccc(/N=N/c2ccc(N)cc2)cc1Cl
InChIInChI=1S/C13H12ClN3/c1-9-2-5-12(8-13(9)14)17-16-11-6-3-10(15)4-7-11/h2-8H,15H2,1H3/b17-16+
InChIKeyFEIGDULPWHUFPK-WUKNDPDISA-N
MW245.71 g/mol
LogP4.65
Rot. Bonds2

About 4-[(3-chloro-4-methylphenyl)diazenyl]aniline

4-[(3-chloro-4-methylphenyl)diazenyl]aniline (PubChem CID 118893788) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-[(3-chloro-4-methylphenyl)diazenyl]aniline.

Molecular Properties

Compound Name4-[(3-chloro-4-methylphenyl)diazenyl]aniline
PubChem CID118893788
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name4-[(3-chloro-4-methylphenyl)diazenyl]aniline
SMILESCc1ccc(/N=N/c2ccc(N)cc2)cc1Cl
InChIInChI=1S/C13H12ClN3/c1-9-2-5-12(8-13(9)14)17-16-11-6-3-10(15)4-7-11/h2-8H,15H2,1H3/b17-16+
InChIKeyFEIGDULPWHUFPK-WUKNDPDISA-N
XLogP4.65
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid
CID 136794336
4-[(4-aminophenyl)diazenyl]-2,6-dichlorobenzenesulfonic acid
CID 134929889
4-[(2,4-dichlorophenyl)diazenyl]aniline
CID 23338727
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
N-acetyl-N-[4-[(4-aminophenyl)diazenyl]-2,6-dimethylphenyl]acetamide
CID 88816516
4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline
CID 59729744
N-(3-chloro-4-methylphenyl)-1,1-bis(prop-2-ynylsulfanyl)methanimine
CID 86733686
4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 63195043
4-[(3-ethylphenyl)diazenyl]aniline
CID 45095557
3-[(3-chloro-4-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 135775287
2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine
CID 164763755
N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methylphenyl)diazenyl]aniline?
The IUPAC name of 4-[(3-chloro-4-methylphenyl)diazenyl]aniline (CID 118893788) is 4-[(3-chloro-4-methylphenyl)diazenyl]aniline.
What is the SMILES notation for 4-[(3-chloro-4-methylphenyl)diazenyl]aniline?
The canonical SMILES for 4-[(3-chloro-4-methylphenyl)diazenyl]aniline is Cc1ccc(/N=N/c2ccc(N)cc2)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methylphenyl)diazenyl]aniline?
The InChIKey is FEIGDULPWHUFPK-WUKNDPDISA-N. The full InChI is InChI=1S/C13H12ClN3/c1-9-2-5-12(8-13(9)14)17-16-11-6-3-10(15)4-7-11/h2-8H,15H2,1H3/b17-16+.
What are the key properties of 4-[(3-chloro-4-methylphenyl)diazenyl]aniline?
4-[(3-chloro-4-methylphenyl)diazenyl]aniline has a molecular weight of 245.71 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methylphenyl)diazenyl]aniline is sourced from PubChem (CID 118893788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).