1-(2-azidoethyl)-2-ethoxybenzene

C10H13N3O — CID 150018068

IUPAC1-(2-azidoethyl)-2-ethoxybenzene
SMILESCCOc1ccccc1CCN=[N+]=[N-]
InChIInChI=1S/C10H13N3O/c1-2-14-10-6-4-3-5-9(10)7-8-12-13-11/h3-6H,2,7-8H2,1H3
InChIKeyDERKOKMIYYVZLT-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.94
Rot. Bonds5

About 1-(2-azidoethyl)-2-ethoxybenzene

1-(2-azidoethyl)-2-ethoxybenzene (PubChem CID 150018068) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2-azidoethyl)-2-ethoxybenzene.

Molecular Properties

Compound Name1-(2-azidoethyl)-2-ethoxybenzene
PubChem CID150018068
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(2-azidoethyl)-2-ethoxybenzene
SMILESCCOc1ccccc1CCN=[N+]=[N-]
InChIInChI=1S/C10H13N3O/c1-2-14-10-6-4-3-5-9(10)7-8-12-13-11/h3-6H,2,7-8H2,1H3
InChIKeyDERKOKMIYYVZLT-UHFFFAOYSA-N
XLogP2.94
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 1-(2-azidoethyl)-2-ethoxybenzene 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

2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111100154
1-(2-azidoethoxy)-2-ethylbenzene;carbon dioxide
CID 158971807
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
1-(2-azidoethyl)-2,3-dimethoxybenzene
CID 150478771
1-[6-(azidomethoxy)hexyl]-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzene
CID 102474776
1-decyl-2-ethoxybenzene
CID 175243335
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
3-(2-ethoxyphenyl)propanenitrile
CID 53434291
1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219
CID 167681382
CID 167681382
1-(azidomethyl)-2-methoxybenzene
CID 11263685
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-2-ethoxybenzene?
The IUPAC name of 1-(2-azidoethyl)-2-ethoxybenzene (CID 150018068) is 1-(2-azidoethyl)-2-ethoxybenzene.
What is the SMILES notation for 1-(2-azidoethyl)-2-ethoxybenzene?
The canonical SMILES for 1-(2-azidoethyl)-2-ethoxybenzene is CCOc1ccccc1CCN=[N+]=[N-].
What is the InChIKey of 1-(2-azidoethyl)-2-ethoxybenzene?
The InChIKey is DERKOKMIYYVZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-14-10-6-4-3-5-9(10)7-8-12-13-11/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(2-azidoethyl)-2-ethoxybenzene?
1-(2-azidoethyl)-2-ethoxybenzene has a molecular weight of 191.23 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-2-ethoxybenzene is sourced from PubChem (CID 150018068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).