4-butoxy-6-phenyldiazenylbenzene-1,3-diamine

C16H20N4O — CID 12936213

IUPAC4-butoxy-6-phenyldiazenylbenzene-1,3-diamine
SMILESCCCCOc1cc(/N=N/c2ccccc2)c(N)cc1N
InChIInChI=1S/C16H20N4O/c1-2-3-9-21-16-11-15(13(17)10-14(16)18)20-19-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9,17-18H2,1H3/b20-19+
InChIKeyIGOLEJVTHFLADK-FMQUCBEESA-N
MW284.36 g/mol
LogP4.45
Rot. Bonds6

About 4-butoxy-6-phenyldiazenylbenzene-1,3-diamine

4-butoxy-6-phenyldiazenylbenzene-1,3-diamine (PubChem CID 12936213) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-butoxy-6-phenyldiazenylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-butoxy-6-phenyldiazenylbenzene-1,3-diamine
PubChem CID12936213
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-butoxy-6-phenyldiazenylbenzene-1,3-diamine
SMILESCCCCOc1cc(/N=N/c2ccccc2)c(N)cc1N
InChIInChI=1S/C16H20N4O/c1-2-3-9-21-16-11-15(13(17)10-14(16)18)20-19-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9,17-18H2,1H3/b20-19+
InChIKeyIGOLEJVTHFLADK-FMQUCBEESA-N
XLogP4.45
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-methyl-5-phenyldiazenylphenoxy)propane-1-sulfonic acid
CID 58203236
2-butoxy-5-phenylaniline
CID 54853554
4,5-dimethyl-2-phenyldiazenylaniline
CID 88743909
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
(3-chloro-4-decoxyphenyl)-phenyldiazene
CID 101410584
(2,6-diamino-5-phenyldiazenyl-3-pyridinyl) dodecanoate
CID 174260179
4-[(4-butoxyphenyl)diazenyl]aniline
CID 3684446
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
3-[2-[(4-amino-2,5-dimethylphenyl)diazenyl]-4-methyl-5-phenyldiazenylphenoxy]propane-1-sulfonic acid;sulfur trioxide
CID 160788387
4-amino-3-[[2-butoxy-4-[3-butoxy-4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136734413
2-octoxyaniline
CID 14747235
dibutyl 4-amino-5-[2-(2-aminophenoxy)ethoxy]benzene-1,2-dicarboxylate
CID 70354773

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-6-phenyldiazenylbenzene-1,3-diamine?
The IUPAC name of 4-butoxy-6-phenyldiazenylbenzene-1,3-diamine (CID 12936213) is 4-butoxy-6-phenyldiazenylbenzene-1,3-diamine.
What is the SMILES notation for 4-butoxy-6-phenyldiazenylbenzene-1,3-diamine?
The canonical SMILES for 4-butoxy-6-phenyldiazenylbenzene-1,3-diamine is CCCCOc1cc(/N=N/c2ccccc2)c(N)cc1N.
What is the InChIKey of 4-butoxy-6-phenyldiazenylbenzene-1,3-diamine?
The InChIKey is IGOLEJVTHFLADK-FMQUCBEESA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-3-9-21-16-11-15(13(17)10-14(16)18)20-19-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9,17-18H2,1H3/b20-19+.
What are the key properties of 4-butoxy-6-phenyldiazenylbenzene-1,3-diamine?
4-butoxy-6-phenyldiazenylbenzene-1,3-diamine has a molecular weight of 284.36 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-6-phenyldiazenylbenzene-1,3-diamine is sourced from PubChem (CID 12936213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).