2-azidoethoxymethylbenzene

C9H11N3O — CID 11116596

IUPAC2-azidoethoxymethylbenzene
SMILES[N-]=[N+]=NCCOCc1ccccc1
InChIInChI=1S/C9H11N3O/c10-12-11-6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyJNNJRIJFTCBFLX-UHFFFAOYSA-N
MW177.21 g/mol
LogP2.51
Rot. Bonds5

About 2-azidoethoxymethylbenzene

2-azidoethoxymethylbenzene (PubChem CID 11116596) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-azidoethoxymethylbenzene.

Molecular Properties

Compound Name2-azidoethoxymethylbenzene
PubChem CID11116596
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-azidoethoxymethylbenzene
SMILES[N-]=[N+]=NCCOCc1ccccc1
InChIInChI=1S/C9H11N3O/c10-12-11-6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyJNNJRIJFTCBFLX-UHFFFAOYSA-N
XLogP2.51
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azidoethoxymethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azidomethoxymethylbenzene
CID 11171149
1-[2-(2-azidoethoxy)ethoxymethyl]-4-ethylbenzene
CID 174194678
1-(2-azidoethoxymethyl)-3,5-bis(bromomethyl)benzene
CID 177300479
4-(6-azidohexoxy)butylbenzene
CID 10967751
benzyl 4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazine-1-carboxylate
CID 163769676
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
CID 66734377
CID 66734377
2-iodoethoxymethylbenzene
CID 10355314
3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol
CID 162489627
[azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 10591556
dibenzyl 1-[2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-2,5-dioxopyrrole-3,4-dicarboxylate
CID 135209766

Frequently Asked Questions

What is the IUPAC name of 2-azidoethoxymethylbenzene?
The IUPAC name of 2-azidoethoxymethylbenzene (CID 11116596) is 2-azidoethoxymethylbenzene.
What is the SMILES notation for 2-azidoethoxymethylbenzene?
The canonical SMILES for 2-azidoethoxymethylbenzene is [N-]=[N+]=NCCOCc1ccccc1.
What is the InChIKey of 2-azidoethoxymethylbenzene?
The InChIKey is JNNJRIJFTCBFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-12-11-6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-azidoethoxymethylbenzene?
2-azidoethoxymethylbenzene has a molecular weight of 177.21 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidoethoxymethylbenzene is sourced from PubChem (CID 11116596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).