4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline

C14H14BrN3O — CID 123923129

IUPAC4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline
SMILESCCOc1cc(/N=N/c2ccc(Br)cc2)ccc1N
InChIInChI=1S/C14H14BrN3O/c1-2-19-14-9-12(7-8-13(14)16)18-17-11-5-3-10(15)4-6-11/h3-9H,2,16H2,1H3/b18-17+
InChIKeyOSDNNZUPJJGJHX-ISLYRVAYSA-N
MW320.19 g/mol
LogP4.85
Rot. Bonds4

About 4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline

4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline (PubChem CID 123923129) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline.

Molecular Properties

Compound Name4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline
PubChem CID123923129
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline
SMILESCCOc1cc(/N=N/c2ccc(Br)cc2)ccc1N
InChIInChI=1S/C14H14BrN3O/c1-2-19-14-9-12(7-8-13(14)16)18-17-11-5-3-10(15)4-6-11/h3-9H,2,16H2,1H3/b18-17+
InChIKeyOSDNNZUPJJGJHX-ISLYRVAYSA-N
XLogP4.85
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.85
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-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534
4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63670967
4-bromo-2-(methoxymethoxy)aniline
CID 167459517
2-ethoxy-4-(oxetan-3-yloxy)aniline
CID 102605509
4-bromo-1-ethoxy-2-iodobenzene
CID 81479588
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
2-ethoxy-4-propoxyaniline
CID 63677806
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine
CID 65343297
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
4-(3-amino-4-ethoxyphenyl)tellanyl-2-ethoxyaniline
CID 139266329

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline?
The IUPAC name of 4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline (CID 123923129) is 4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline.
What is the SMILES notation for 4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline?
The canonical SMILES for 4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline is CCOc1cc(/N=N/c2ccc(Br)cc2)ccc1N.
What is the InChIKey of 4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline?
The InChIKey is OSDNNZUPJJGJHX-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-2-19-14-9-12(7-8-13(14)16)18-17-11-5-3-10(15)4-6-11/h3-9H,2,16H2,1H3/b18-17+.
What are the key properties of 4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline?
4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline has a molecular weight of 320.19 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline is sourced from PubChem (CID 123923129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).