4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline

C15H16ClN3O — CID 23339963

IUPAC4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline
SMILESCCc1cc(N)c(OC)cc1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-3-10-8-13(17)15(20-2)9-14(10)19-18-12-6-4-11(16)5-7-12/h4-9H,3,17H2,1-2H3/b19-18+
InChIKeyUFHJZDRBYKNBOY-VHEBQXMUSA-N
MW289.77 g/mol
LogP4.91
Rot. Bonds4

About 4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline

4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline (PubChem CID 23339963) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline.

Molecular Properties

Compound Name4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline
PubChem CID23339963
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline
SMILESCCc1cc(N)c(OC)cc1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-3-10-8-13(17)15(20-2)9-14(10)19-18-12-6-4-11(16)5-7-12/h4-9H,3,17H2,1-2H3/b19-18+
InChIKeyUFHJZDRBYKNBOY-VHEBQXMUSA-N
XLogP4.91
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 20545497
3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine
CID 126679434
4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 88561091
sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline
CID 59012909
2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
CID 83008379
2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline
CID 21417382
5-amino-4-[(4-chlorophenyl)diazenyl]-2-methylphenol
CID 135689336
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
1-N-[(4-chlorophenyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258604
4-azido-1-ethyl-2-methoxybenzene
CID 151973375
4-[(4-aminophenyl)diazenyl]-2-chloro-5-methoxybenzenesulfonic acid
CID 88757229
2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide
CID 99987219

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline?
The IUPAC name of 4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline (CID 23339963) is 4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline.
What is the SMILES notation for 4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline?
The canonical SMILES for 4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline is CCc1cc(N)c(OC)cc1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline?
The InChIKey is UFHJZDRBYKNBOY-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-10-8-13(17)15(20-2)9-14(10)19-18-12-6-4-11(16)5-7-12/h4-9H,3,17H2,1-2H3/b19-18+.
What are the key properties of 4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline?
4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline has a molecular weight of 289.77 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline is sourced from PubChem (CID 23339963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).