1-(azidomethyl)-2,4-dimethoxybenzene

C9H11N3O2 — CID 14217595

IUPAC1-(azidomethyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(CN=[N+]=[N-])c(OC)c1
InChIInChI=1S/C9H11N3O2/c1-13-8-4-3-7(6-11-12-10)9(5-8)14-2/h3-5H,6H2,1-2H3
InChIKeyAOFXCKAODUKBJW-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.51
Rot. Bonds4

About 1-(azidomethyl)-2,4-dimethoxybenzene

1-(azidomethyl)-2,4-dimethoxybenzene (PubChem CID 14217595) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(azidomethyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(azidomethyl)-2,4-dimethoxybenzene
PubChem CID14217595
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-(azidomethyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(CN=[N+]=[N-])c(OC)c1
InChIInChI=1S/C9H11N3O2/c1-13-8-4-3-7(6-11-12-10)9(5-8)14-2/h3-5H,6H2,1-2H3
InChIKeyAOFXCKAODUKBJW-UHFFFAOYSA-N
XLogP2.51
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.51
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

2-(azidomethyl)-4-methoxyphenol
CID 16655853
2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 155435073
1-(2-azidoethyl)-4-methoxy-2-methylbenzene
CID 151451429
(2,4-dimethoxyphenyl)methanamine;1-(isothiocyanatomethyl)-2,4-dimethoxybenzene
CID 158968323
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene
CID 58764698
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
4-azido-1-(2,4-dimethoxyphenyl)butane-1,2-diol
CID 171879758
(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 24721588
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
2-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111022345
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(azidomethyl)-2,4-dimethoxybenzene (CID 14217595) is 1-(azidomethyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(azidomethyl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(azidomethyl)-2,4-dimethoxybenzene is COc1ccc(CN=[N+]=[N-])c(OC)c1.
What is the InChIKey of 1-(azidomethyl)-2,4-dimethoxybenzene?
The InChIKey is AOFXCKAODUKBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-13-8-4-3-7(6-11-12-10)9(5-8)14-2/h3-5H,6H2,1-2H3.
What are the key properties of 1-(azidomethyl)-2,4-dimethoxybenzene?
1-(azidomethyl)-2,4-dimethoxybenzene has a molecular weight of 193.21 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 14217595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).