amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride

C18H24Cl2N6O2 — CID 71437829

IUPACamino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride
SMILESC[N+](C)(N)CCNCCc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1.[Cl-]
InChIInChI=1S/C18H24ClN6O2.ClH/c1-25(2,20)12-11-21-10-9-14-3-5-15(6-4-14)22-23-18-8-7-16(24(26)27)13-17(18)19;/h3-8,13,21H,9-12,20H2,1-2H3;1H/q+1;/p-1/b23-22+;
InChIKeyKQRJGSGNOXGTID-PGCQSHBKSA-M
MW427.34 g/mol
LogP0.75
Rot. Bonds9

About amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride

amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride (PubChem CID 71437829) has the molecular formula C18H24Cl2N6O2 and a molecular weight of 427.34 g/mol. Its IUPAC name is amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride.

Molecular Properties

Compound Nameamino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride
PubChem CID71437829
Molecular FormulaC18H24Cl2N6O2
Molecular Weight427.34 g/mol
Exact Mass426.13
IUPAC Nameamino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride
SMILESC[N+](C)(N)CCNCCc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1.[Cl-]
InChIInChI=1S/C18H24ClN6O2.ClH/c1-25(2,20)12-11-21-10-9-14-3-5-15(6-4-14)22-23-18-8-7-16(24(26)27)13-17(18)19;/h3-8,13,21H,9-12,20H2,1-2H3;1H/q+1;/p-1/b23-22+;
InChIKeyKQRJGSGNOXGTID-PGCQSHBKSA-M
XLogP0.75
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

amino-[2-[2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride
CID 71438179
2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl carbamate
CID 154299544
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium acetate
CID 21149635
4-[(2-chloro-4-nitrophenyl)diazenyl]-N,N-bis(2-methoxyethyl)aniline
CID 71320186
N'-(2-chloro-4-nitrophenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 17158001
3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]propan-1-ol
CID 122210485
lithium;bis(4-[(2-chloro-4-nitrophenyl)diazenyl]-2-[(5-nitro-2-oxidophenyl)iminomethyl]phenolate);chromium(3+)
CID 170840880
2-oxopropyl 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-[3-oxo-3-(2-oxopropoxy)propyl]anilino]propanoate
CID 90138075
4-[(2-chloro-4-nitrophenyl)diazenyl]-N,N-bis(2-pyridin-1-ium-1-ylethyl)aniline
CID 56843392
[9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene
CID 86079697
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-[4-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethoxy]phenyl]acetate
CID 11767695
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927

Frequently Asked Questions

What is the IUPAC name of amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride?
The IUPAC name of amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride (CID 71437829) is amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride.
What is the SMILES notation for amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride?
The canonical SMILES for amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride is C[N+](C)(N)CCNCCc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1.[Cl-].
What is the InChIKey of amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride?
The InChIKey is KQRJGSGNOXGTID-PGCQSHBKSA-M. The full InChI is InChI=1S/C18H24ClN6O2.ClH/c1-25(2,20)12-11-21-10-9-14-3-5-15(6-4-14)22-23-18-8-7-16(24(26)27)13-17(18)19;/h3-8,13,21H,9-12,20H2,1-2H3;1H/q+1;/p-1/b23-22+;.
What are the key properties of amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride?
amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride has a molecular weight of 427.34 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[2-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-dimethylazanium chloride is sourced from PubChem (CID 71437829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).