4-diazenyl-N-(4-methoxyphenyl)aniline

C13H13N3O — CID 5103664

IUPAC4-diazenyl-N-(4-methoxyphenyl)aniline
SMILES[H]/N=N/c1ccc(Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C13H13N3O/c1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10/h2-9,14-15H,1H3/b16-14+
InChIKeyHKSPTKFWPVNGNK-JQIJEIRASA-N
MW227.27 g/mol
LogP4.10
Rot. Bonds4

About 4-diazenyl-N-(4-methoxyphenyl)aniline

4-diazenyl-N-(4-methoxyphenyl)aniline (PubChem CID 5103664) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-diazenyl-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-diazenyl-N-(4-methoxyphenyl)aniline
PubChem CID5103664
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-diazenyl-N-(4-methoxyphenyl)aniline
SMILES[H]/N=N/c1ccc(Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C13H13N3O/c1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10/h2-9,14-15H,1H3/b16-14+
InChIKeyHKSPTKFWPVNGNK-JQIJEIRASA-N
XLogP4.10
TPSA57.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-azido-N-(4-methoxyphenyl)aniline
CID 18432095
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
CID 82535713
3-(4-methoxyanilino)phenol
CID 15574559
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
3,4,5-trifluoro-N-(4-methoxyphenyl)aniline
CID 52951070
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride
CID 6453830

Frequently Asked Questions

What is the IUPAC name of 4-diazenyl-N-(4-methoxyphenyl)aniline?
The IUPAC name of 4-diazenyl-N-(4-methoxyphenyl)aniline (CID 5103664) is 4-diazenyl-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-diazenyl-N-(4-methoxyphenyl)aniline?
The canonical SMILES for 4-diazenyl-N-(4-methoxyphenyl)aniline is [H]/N=N/c1ccc(Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-diazenyl-N-(4-methoxyphenyl)aniline?
The InChIKey is HKSPTKFWPVNGNK-JQIJEIRASA-N. The full InChI is InChI=1S/C13H13N3O/c1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10/h2-9,14-15H,1H3/b16-14+.
What are the key properties of 4-diazenyl-N-(4-methoxyphenyl)aniline?
4-diazenyl-N-(4-methoxyphenyl)aniline has a molecular weight of 227.27 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazenyl-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 5103664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).