4-chloro-N-diazenyl-N-methylaniline

C7H8ClN3 — CID 167081565

IUPAC4-chloro-N-diazenyl-N-methylaniline
SMILES[H]/N=N/N(C)c1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN3/c1-11(10-9)7-4-2-6(8)3-5-7/h2-5,9H,1H3/b10-9+
InChIKeyYECIUXKLEIMCJY-MDZDMXLPSA-N
MW169.61 g/mol
LogP2.72
Rot. Bonds2

About 4-chloro-N-diazenyl-N-methylaniline

4-chloro-N-diazenyl-N-methylaniline (PubChem CID 167081565) has the molecular formula C7H8ClN3 and a molecular weight of 169.61 g/mol. Its IUPAC name is 4-chloro-N-diazenyl-N-methylaniline.

Molecular Properties

Compound Name4-chloro-N-diazenyl-N-methylaniline
PubChem CID167081565
Molecular FormulaC7H8ClN3
Molecular Weight169.61 g/mol
Exact Mass169.04
IUPAC Name4-chloro-N-diazenyl-N-methylaniline
SMILES[H]/N=N/N(C)c1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN3/c1-11(10-9)7-4-2-6(8)3-5-7/h2-5,9H,1H3/b10-9+
InChIKeyYECIUXKLEIMCJY-MDZDMXLPSA-N
XLogP2.72
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;hydrochloride
CID 159416962
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline
CID 11334837
N-diazenyl-N-methylmethanamine
CID 15178355
N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline
CID 23597856
1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine
CID 57357482
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
N-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 105450394
4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90885434
1-(4-chloro-N-ethylanilino)propan-2-ol
CID 174579431
azane;1,4-dichlorobenzene
CID 69330361

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-diazenyl-N-methylaniline?
The IUPAC name of 4-chloro-N-diazenyl-N-methylaniline (CID 167081565) is 4-chloro-N-diazenyl-N-methylaniline.
What is the SMILES notation for 4-chloro-N-diazenyl-N-methylaniline?
The canonical SMILES for 4-chloro-N-diazenyl-N-methylaniline is [H]/N=N/N(C)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-diazenyl-N-methylaniline?
The InChIKey is YECIUXKLEIMCJY-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-11(10-9)7-4-2-6(8)3-5-7/h2-5,9H,1H3/b10-9+.
What are the key properties of 4-chloro-N-diazenyl-N-methylaniline?
4-chloro-N-diazenyl-N-methylaniline has a molecular weight of 169.61 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-diazenyl-N-methylaniline is sourced from PubChem (CID 167081565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).