4-[(4-butoxyphenyl)diazenyl]aniline

C16H19N3O — CID 3684446

IUPAC4-[(4-butoxyphenyl)diazenyl]aniline
SMILESCCCCOc1ccc(/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C16H19N3O/c1-2-3-12-20-16-10-8-15(9-11-16)19-18-14-6-4-13(17)5-7-14/h4-11H,2-3,12,17H2,1H3/b19-18+
InChIKeyMBGVLUXPVVQTNS-VHEBQXMUSA-N
MW269.35 g/mol
LogP4.86
Rot. Bonds6

About 4-[(4-butoxyphenyl)diazenyl]aniline

4-[(4-butoxyphenyl)diazenyl]aniline (PubChem CID 3684446) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[(4-butoxyphenyl)diazenyl]aniline.

Molecular Properties

Compound Name4-[(4-butoxyphenyl)diazenyl]aniline
PubChem CID3684446
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[(4-butoxyphenyl)diazenyl]aniline
SMILESCCCCOc1ccc(/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C16H19N3O/c1-2-3-12-20-16-10-8-15(9-11-16)19-18-14-6-4-13(17)5-7-14/h4-11H,2-3,12,17H2,1H3/b19-18+
InChIKeyMBGVLUXPVVQTNS-VHEBQXMUSA-N
XLogP4.86
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', '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

(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
bis(4-heptoxyphenyl)diazene
CID 13087198
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene
CID 101188432
(4-butoxyphenyl)-(4-ethynylphenyl)diazene
CID 101121251
4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide
CID 3089332
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
(4-butoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)diazene
CID 134880151
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
CID 136836012
CID 136836012
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butoxyphenyl)diazenyl]aniline?
The IUPAC name of 4-[(4-butoxyphenyl)diazenyl]aniline (CID 3684446) is 4-[(4-butoxyphenyl)diazenyl]aniline.
What is the SMILES notation for 4-[(4-butoxyphenyl)diazenyl]aniline?
The canonical SMILES for 4-[(4-butoxyphenyl)diazenyl]aniline is CCCCOc1ccc(/N=N/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-butoxyphenyl)diazenyl]aniline?
The InChIKey is MBGVLUXPVVQTNS-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-3-12-20-16-10-8-15(9-11-16)19-18-14-6-4-13(17)5-7-14/h4-11H,2-3,12,17H2,1H3/b19-18+.
What are the key properties of 4-[(4-butoxyphenyl)diazenyl]aniline?
4-[(4-butoxyphenyl)diazenyl]aniline has a molecular weight of 269.35 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butoxyphenyl)diazenyl]aniline is sourced from PubChem (CID 3684446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).