1-(2-azidoethyl)-2,3-dimethoxybenzene

C10H13N3O2 — CID 150478771

IUPAC1-(2-azidoethyl)-2,3-dimethoxybenzene
SMILESCOc1cccc(CCN=[N+]=[N-])c1OC
InChIInChI=1S/C10H13N3O2/c1-14-9-5-3-4-8(10(9)15-2)6-7-12-13-11/h3-5H,6-7H2,1-2H3
InChIKeyHTJDBIVWKGWABK-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-azidoethyl)-2,3-dimethoxybenzene

1-(2-azidoethyl)-2,3-dimethoxybenzene (PubChem CID 150478771) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(2-azidoethyl)-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-(2-azidoethyl)-2,3-dimethoxybenzene
PubChem CID150478771
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(2-azidoethyl)-2,3-dimethoxybenzene
SMILESCOc1cccc(CCN=[N+]=[N-])c1OC
InChIInChI=1S/C10H13N3O2/c1-14-9-5-3-4-8(10(9)15-2)6-7-12-13-11/h3-5H,6-7H2,1-2H3
InChIKeyHTJDBIVWKGWABK-UHFFFAOYSA-N
XLogP2.56
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

3-(2-azidoethyl)-6,7-dimethoxy-1H-indole
CID 10562361
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
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CID 151383343
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
1-(azidomethyl)-2-methoxybenzene
CID 11263685
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
1-(2-cyclohexylethyl)-2,3-dimethoxybenzene
CID 140989777
2-azido-N-(2,3-dimethoxyphenyl)acetamide
CID 98128021
2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane
CID 90120995
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
1,2-dimethoxy-3-prop-2-ynylbenzene
CID 119082494
1-(2-chloroethyl)-3-[3-(2-chloroethyl)-2-methoxyphenoxy]-2-methoxybenzene
CID 70074323

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-2,3-dimethoxybenzene?
The IUPAC name of 1-(2-azidoethyl)-2,3-dimethoxybenzene (CID 150478771) is 1-(2-azidoethyl)-2,3-dimethoxybenzene.
What is the SMILES notation for 1-(2-azidoethyl)-2,3-dimethoxybenzene?
The canonical SMILES for 1-(2-azidoethyl)-2,3-dimethoxybenzene is COc1cccc(CCN=[N+]=[N-])c1OC.
What is the InChIKey of 1-(2-azidoethyl)-2,3-dimethoxybenzene?
The InChIKey is HTJDBIVWKGWABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-14-9-5-3-4-8(10(9)15-2)6-7-12-13-11/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(2-azidoethyl)-2,3-dimethoxybenzene?
1-(2-azidoethyl)-2,3-dimethoxybenzene has a molecular weight of 207.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-2,3-dimethoxybenzene is sourced from PubChem (CID 150478771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).