4-[(3-ethylphenyl)diazenyl]aniline

C14H15N3 — CID 45095557

IUPAC4-[(3-ethylphenyl)diazenyl]aniline
SMILESCCc1cccc(/N=N/c2ccc(N)cc2)c1
InChIInChI=1S/C14H15N3/c1-2-11-4-3-5-14(10-11)17-16-13-8-6-12(15)7-9-13/h3-10H,2,15H2,1H3/b17-16+
InChIKeyVMXGWSBWVVVWPO-WUKNDPDISA-N
MW225.30 g/mol
LogP4.25
Rot. Bonds3

About 4-[(3-ethylphenyl)diazenyl]aniline

4-[(3-ethylphenyl)diazenyl]aniline (PubChem CID 45095557) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-[(3-ethylphenyl)diazenyl]aniline.

Molecular Properties

Compound Name4-[(3-ethylphenyl)diazenyl]aniline
PubChem CID45095557
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name4-[(3-ethylphenyl)diazenyl]aniline
SMILESCCc1cccc(/N=N/c2ccc(N)cc2)c1
InChIInChI=1S/C14H15N3/c1-2-11-4-3-5-14(10-11)17-16-13-8-6-12(15)7-9-13/h3-10H,2,15H2,1H3/b17-16+
InChIKeyVMXGWSBWVVVWPO-WUKNDPDISA-N
XLogP4.25
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
(3,5-diethylphenyl)-phenyldiazene
CID 154395321
N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572
4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
CID 134597339
(4-aminophenyl)-(3-ethylphenyl)methanone
CID 116548793
4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline
CID 149144793
1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
CID 145137621
4-(4-aminophenyl)-3-(3-ethylphenyl)aniline
CID 151958387
4-ethylaniline;hydrobromide
CID 86059477
4-[(3-chloro-4-methylphenyl)diazenyl]aniline
CID 118893788
1-N'-(3-ethylphenyl)-3-N'-methyl-2-methyliminopropanediimidamide
CID 118983783
4-[[4-(4-propylphenoxy)phenyl]diazenyl]aniline
CID 129086495

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylphenyl)diazenyl]aniline?
The IUPAC name of 4-[(3-ethylphenyl)diazenyl]aniline (CID 45095557) is 4-[(3-ethylphenyl)diazenyl]aniline.
What is the SMILES notation for 4-[(3-ethylphenyl)diazenyl]aniline?
The canonical SMILES for 4-[(3-ethylphenyl)diazenyl]aniline is CCc1cccc(/N=N/c2ccc(N)cc2)c1.
What is the InChIKey of 4-[(3-ethylphenyl)diazenyl]aniline?
The InChIKey is VMXGWSBWVVVWPO-WUKNDPDISA-N. The full InChI is InChI=1S/C14H15N3/c1-2-11-4-3-5-14(10-11)17-16-13-8-6-12(15)7-9-13/h3-10H,2,15H2,1H3/b17-16+.
What are the key properties of 4-[(3-ethylphenyl)diazenyl]aniline?
4-[(3-ethylphenyl)diazenyl]aniline has a molecular weight of 225.30 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylphenyl)diazenyl]aniline is sourced from PubChem (CID 45095557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).