4-(azidomethoxy)aniline

C7H8N4O — CID 152728355

IUPAC4-(azidomethoxy)aniline
SMILES[N-]=[N+]=NCOc1ccc(N)cc1
InChIInChI=1S/C7H8N4O/c8-6-1-3-7(4-2-6)12-5-10-11-9/h1-4H,5,8H2
InChIKeyZXBSQMBZQYBLAC-UHFFFAOYSA-N
MW164.17 g/mol
LogP1.92
Rot. Bonds3

About 4-(azidomethoxy)aniline

4-(azidomethoxy)aniline (PubChem CID 152728355) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 4-(azidomethoxy)aniline.

Molecular Properties

Compound Name4-(azidomethoxy)aniline
PubChem CID152728355
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name4-(azidomethoxy)aniline
SMILES[N-]=[N+]=NCOc1ccc(N)cc1
InChIInChI=1S/C7H8N4O/c8-6-1-3-7(4-2-6)12-5-10-11-9/h1-4H,5,8H2
InChIKeyZXBSQMBZQYBLAC-UHFFFAOYSA-N
XLogP1.92
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 51.92
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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Related Compounds

1-(azidomethoxy)-4-methylbenzene
CID 14119265
2-[4-(azidomethoxy)phenyl]ethanol
CID 150054112
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-(2-azidoethoxy)pyridin-2-amine
CID 169237712
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
(4-aminophenoxy)methanediazonium
CID 154269216
4-[4-(3-azidoprop-1-enyl)phenoxy]aniline
CID 169462676
4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
CID 23321989
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
1,2-bis(4-aminophenoxy)ethane-1,1-diamine
CID 141003023
CID 164812144
CID 164812144
4-(4-aminophenoxy)aniline
CID 161415647

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethoxy)aniline?
The IUPAC name of 4-(azidomethoxy)aniline (CID 152728355) is 4-(azidomethoxy)aniline.
What is the SMILES notation for 4-(azidomethoxy)aniline?
The canonical SMILES for 4-(azidomethoxy)aniline is [N-]=[N+]=NCOc1ccc(N)cc1.
What is the InChIKey of 4-(azidomethoxy)aniline?
The InChIKey is ZXBSQMBZQYBLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-6-1-3-7(4-2-6)12-5-10-11-9/h1-4H,5,8H2.
What are the key properties of 4-(azidomethoxy)aniline?
4-(azidomethoxy)aniline has a molecular weight of 164.17 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethoxy)aniline is sourced from PubChem (CID 152728355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).