benzyl-(4-chloro-2-methylphenyl)diazene

C14H13ClN2 — CID 54063455

IUPACbenzyl-(4-chloro-2-methylphenyl)diazene
SMILESCc1cc(Cl)ccc1/N=N/Cc1ccccc1
InChIInChI=1S/C14H13ClN2/c1-11-9-13(15)7-8-14(11)17-16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3/b17-16+
InChIKeyMBILPUASZRBDBI-WUKNDPDISA-N
MW244.73 g/mol
LogP4.93
Rot. Bonds3

About benzyl-(4-chloro-2-methylphenyl)diazene

benzyl-(4-chloro-2-methylphenyl)diazene (PubChem CID 54063455) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is benzyl-(4-chloro-2-methylphenyl)diazene.

Molecular Properties

Compound Namebenzyl-(4-chloro-2-methylphenyl)diazene
PubChem CID54063455
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Namebenzyl-(4-chloro-2-methylphenyl)diazene
SMILESCc1cc(Cl)ccc1/N=N/Cc1ccccc1
InChIInChI=1S/C14H13ClN2/c1-11-9-13(15)7-8-14(11)17-16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3/b17-16+
InChIKeyMBILPUASZRBDBI-WUKNDPDISA-N
XLogP4.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine
CID 123539241
N-[(4-chloro-2-methylphenyl)diazenyl]-N-methylaniline
CID 71395427
2-[(4-chloro-2-methylphenyl)diazenyl]ethanimine
CID 123285574
1-benzylsulfanyl-N-(5-chloro-2-methylphenyl)-1-ethylsulfanylmethanimine
CID 86733684
(7-chloroquinolin-4-yl)-[(2-methylphenyl)methyl]diazene
CID 91896899
N-(4-chloro-2-methylphenyl)butan-2-imine
CID 138749574
N,N-dibenzyl-3-methyl-4-[[(2-methylphenyl)diazenyl]methyl]aniline
CID 54169249
1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene
CID 70540354
N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide
CID 71436952
4-[(4-chloro-2-methylphenyl)diazenyl]-1-[(1-methylpyridin-1-ium-4-yl)methyl]pyrazol-5-amine
CID 137001246
methyl N-(4-chloro-2-methylphenyl)ethanimidothioate
CID 163694304
4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795

Frequently Asked Questions

What is the IUPAC name of benzyl-(4-chloro-2-methylphenyl)diazene?
The IUPAC name of benzyl-(4-chloro-2-methylphenyl)diazene (CID 54063455) is benzyl-(4-chloro-2-methylphenyl)diazene.
What is the SMILES notation for benzyl-(4-chloro-2-methylphenyl)diazene?
The canonical SMILES for benzyl-(4-chloro-2-methylphenyl)diazene is Cc1cc(Cl)ccc1/N=N/Cc1ccccc1.
What is the InChIKey of benzyl-(4-chloro-2-methylphenyl)diazene?
The InChIKey is MBILPUASZRBDBI-WUKNDPDISA-N. The full InChI is InChI=1S/C14H13ClN2/c1-11-9-13(15)7-8-14(11)17-16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3/b17-16+.
What are the key properties of benzyl-(4-chloro-2-methylphenyl)diazene?
benzyl-(4-chloro-2-methylphenyl)diazene has a molecular weight of 244.73 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(4-chloro-2-methylphenyl)diazene is sourced from PubChem (CID 54063455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).