1-(2-azidoethyl)-3-(methoxymethyl)benzene

C10H13N3O — CID 150431775

IUPAC1-(2-azidoethyl)-3-(methoxymethyl)benzene
SMILESCOCc1cccc(CCN=[N+]=[N-])c1
InChIInChI=1S/C10H13N3O/c1-14-8-10-4-2-3-9(7-10)5-6-12-13-11/h2-4,7H,5-6,8H2,1H3
InChIKeyHJXVSYXVVYSCHO-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.69
Rot. Bonds5

About 1-(2-azidoethyl)-3-(methoxymethyl)benzene

1-(2-azidoethyl)-3-(methoxymethyl)benzene (PubChem CID 150431775) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2-azidoethyl)-3-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-(2-azidoethyl)-3-(methoxymethyl)benzene
PubChem CID150431775
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(2-azidoethyl)-3-(methoxymethyl)benzene
SMILESCOCc1cccc(CCN=[N+]=[N-])c1
InChIInChI=1S/C10H13N3O/c1-14-8-10-4-2-3-9(7-10)5-6-12-13-11/h2-4,7H,5-6,8H2,1H3
InChIKeyHJXVSYXVVYSCHO-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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'}

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Related Compounds

1-(azidomethyl)-3-(2-methoxyethyl)benzene
CID 117109154
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide
CID 66166388
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
4-(2-azidoethyl)-2-methoxyphenol;methane
CID 167709362
[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide
CID 45043532
2-[3-(azidomethyl)phenyl]ethanol
CID 117109153
1-(1-methoxyethyl)-3-(methoxymethyl)benzene
CID 19879643
1-(1-bromoethyl)-3-(methoxymethyl)benzene
CID 174626315
1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117284060
1-but-2-enyl-3-(methoxymethyl)benzene
CID 175299095

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-3-(methoxymethyl)benzene?
The IUPAC name of 1-(2-azidoethyl)-3-(methoxymethyl)benzene (CID 150431775) is 1-(2-azidoethyl)-3-(methoxymethyl)benzene.
What is the SMILES notation for 1-(2-azidoethyl)-3-(methoxymethyl)benzene?
The canonical SMILES for 1-(2-azidoethyl)-3-(methoxymethyl)benzene is COCc1cccc(CCN=[N+]=[N-])c1.
What is the InChIKey of 1-(2-azidoethyl)-3-(methoxymethyl)benzene?
The InChIKey is HJXVSYXVVYSCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-14-8-10-4-2-3-9(7-10)5-6-12-13-11/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 1-(2-azidoethyl)-3-(methoxymethyl)benzene?
1-(2-azidoethyl)-3-(methoxymethyl)benzene has a molecular weight of 191.23 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-3-(methoxymethyl)benzene is sourced from PubChem (CID 150431775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).