1-azido-2-(dimethoxymethyl)-4-methylbenzene

C10H13N3O2 — CID 71531091

IUPAC1-azido-2-(dimethoxymethyl)-4-methylbenzene
SMILESCOC(OC)c1cc(C)ccc1N=[N+]=[N-]
InChIInChI=1S/C10H13N3O2/c1-7-4-5-9(12-13-11)8(6-7)10(14-2)15-3/h4-6,10H,1-3H3
InChIKeyFMFKNIFRXHJIRV-UHFFFAOYSA-N
MW207.23 g/mol
LogP3.23
Rot. Bonds4

About 1-azido-2-(dimethoxymethyl)-4-methylbenzene

1-azido-2-(dimethoxymethyl)-4-methylbenzene (PubChem CID 71531091) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-azido-2-(dimethoxymethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-azido-2-(dimethoxymethyl)-4-methylbenzene
PubChem CID71531091
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-azido-2-(dimethoxymethyl)-4-methylbenzene
SMILESCOC(OC)c1cc(C)ccc1N=[N+]=[N-]
InChIInChI=1S/C10H13N3O2/c1-7-4-5-9(12-13-11)8(6-7)10(14-2)15-3/h4-6,10H,1-3H3
InChIKeyFMFKNIFRXHJIRV-UHFFFAOYSA-N
XLogP3.23
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 53.23
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azido-2-methoxy-4-methylbenzene
CID 152671087
[2-(dimethoxymethyl)-4-methylphenyl]imino-triphenyl-λ5-phosphane
CID 71531095
2-azido-5-methylbenzaldehyde
CID 14085174
1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene
CID 169325952
1-azido-2-(chloromethyl)-4-methylbenzene
CID 10464942
1-azido-2-[methoxy(methylsulfanyl)methyl]benzene
CID 71530957
2-azido-4-methylbenzonitrile
CID 80583819
2-azido-4-methylbenzenesulfonic acid
CID 21159589
2-azidooxy-4-methyl-1-propan-2-ylbenzene
CID 91157951
3-azido-6-methoxy-2-methylpyridine
CID 151655403
(2-azido-5-methylphenyl) propanimidothioate
CID 22027256
2-azido-4-(4-methylphenyl)phenol
CID 11586627

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-(dimethoxymethyl)-4-methylbenzene?
The IUPAC name of 1-azido-2-(dimethoxymethyl)-4-methylbenzene (CID 71531091) is 1-azido-2-(dimethoxymethyl)-4-methylbenzene.
What is the SMILES notation for 1-azido-2-(dimethoxymethyl)-4-methylbenzene?
The canonical SMILES for 1-azido-2-(dimethoxymethyl)-4-methylbenzene is COC(OC)c1cc(C)ccc1N=[N+]=[N-].
What is the InChIKey of 1-azido-2-(dimethoxymethyl)-4-methylbenzene?
The InChIKey is FMFKNIFRXHJIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-4-5-9(12-13-11)8(6-7)10(14-2)15-3/h4-6,10H,1-3H3.
What are the key properties of 1-azido-2-(dimethoxymethyl)-4-methylbenzene?
1-azido-2-(dimethoxymethyl)-4-methylbenzene has a molecular weight of 207.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-(dimethoxymethyl)-4-methylbenzene is sourced from PubChem (CID 71531091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).