1-(2-azidoethoxy)-2,3-dimethylbenzene

C10H13N3O — CID 61397204

IUPAC1-(2-azidoethoxy)-2,3-dimethylbenzene
SMILESCc1cccc(OCCN=[N+]=[N-])c1C
InChIInChI=1S/C10H13N3O/c1-8-4-3-5-10(9(8)2)14-7-6-12-13-11/h3-5H,6-7H2,1-2H3
InChIKeyPHHXYRRAKJYWTN-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.99
Rot. Bonds4

About 1-(2-azidoethoxy)-2,3-dimethylbenzene

1-(2-azidoethoxy)-2,3-dimethylbenzene (PubChem CID 61397204) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2-azidoethoxy)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(2-azidoethoxy)-2,3-dimethylbenzene
PubChem CID61397204
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(2-azidoethoxy)-2,3-dimethylbenzene
SMILESCc1cccc(OCCN=[N+]=[N-])c1C
InChIInChI=1S/C10H13N3O/c1-8-4-3-5-10(9(8)2)14-7-6-12-13-11/h3-5H,6-7H2,1-2H3
InChIKeyPHHXYRRAKJYWTN-UHFFFAOYSA-N
XLogP2.99
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.99
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'}

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Related Compounds

2-(2-azidoethoxy)-1,3,4-trimethylbenzene
CID 61396645
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
2-(2-azidoethoxy)-4-bromo-1-methylbenzene
CID 107285403
8-(2-azidoethoxy)quinoline
CID 55137163
1-(2-azidoethoxy)-2-ethylbenzene;carbon dioxide
CID 158971807
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
1-[2-(2,3-dimethylphenoxy)ethyl]-1-methylhydrazine
CID 82281839
1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 113226849
2-(3-azidopropoxy)-1,3,4-trimethylbenzene
CID 61396646
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
1-[3-(2,3-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354088

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethoxy)-2,3-dimethylbenzene?
The IUPAC name of 1-(2-azidoethoxy)-2,3-dimethylbenzene (CID 61397204) is 1-(2-azidoethoxy)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(2-azidoethoxy)-2,3-dimethylbenzene?
The canonical SMILES for 1-(2-azidoethoxy)-2,3-dimethylbenzene is Cc1cccc(OCCN=[N+]=[N-])c1C.
What is the InChIKey of 1-(2-azidoethoxy)-2,3-dimethylbenzene?
The InChIKey is PHHXYRRAKJYWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-4-3-5-10(9(8)2)14-7-6-12-13-11/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(2-azidoethoxy)-2,3-dimethylbenzene?
1-(2-azidoethoxy)-2,3-dimethylbenzene has a molecular weight of 191.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethoxy)-2,3-dimethylbenzene is sourced from PubChem (CID 61397204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).