4-[4-(3-azidoprop-1-enyl)phenoxy]aniline

C15H14N4O — CID 169462676

IUPAC4-[4-(3-azidoprop-1-enyl)phenoxy]aniline
SMILES[N-]=[N+]=NCC=Cc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C15H14N4O/c16-13-5-9-15(10-6-13)20-14-7-3-12(4-8-14)2-1-11-18-19-17/h1-10H,11,16H2
InChIKeyDMJFWQBXGWKRCG-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.38
Rot. Bonds5

About 4-[4-(3-azidoprop-1-enyl)phenoxy]aniline

4-[4-(3-azidoprop-1-enyl)phenoxy]aniline (PubChem CID 169462676) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[4-(3-azidoprop-1-enyl)phenoxy]aniline.

Molecular Properties

Compound Name4-[4-(3-azidoprop-1-enyl)phenoxy]aniline
PubChem CID169462676
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-[4-(3-azidoprop-1-enyl)phenoxy]aniline
SMILES[N-]=[N+]=NCC=Cc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C15H14N4O/c16-13-5-9-15(10-6-13)20-14-7-3-12(4-8-14)2-1-11-18-19-17/h1-10H,11,16H2
InChIKeyDMJFWQBXGWKRCG-UHFFFAOYSA-N
XLogP4.38
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.38
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-azidoprop-1-enyl)phenoxy]aniline?
The IUPAC name of 4-[4-(3-azidoprop-1-enyl)phenoxy]aniline (CID 169462676) is 4-[4-(3-azidoprop-1-enyl)phenoxy]aniline.
What is the SMILES notation for 4-[4-(3-azidoprop-1-enyl)phenoxy]aniline?
The canonical SMILES for 4-[4-(3-azidoprop-1-enyl)phenoxy]aniline is [N-]=[N+]=NCC=Cc1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[4-(3-azidoprop-1-enyl)phenoxy]aniline?
The InChIKey is DMJFWQBXGWKRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-13-5-9-15(10-6-13)20-14-7-3-12(4-8-14)2-1-11-18-19-17/h1-10H,11,16H2.
What are the key properties of 4-[4-(3-azidoprop-1-enyl)phenoxy]aniline?
4-[4-(3-azidoprop-1-enyl)phenoxy]aniline has a molecular weight of 266.30 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-azidoprop-1-enyl)phenoxy]aniline is sourced from PubChem (CID 169462676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).