1-(azidomethyl)-3-(2-methoxyethyl)benzene

C10H13N3O — CID 117109154

IUPAC1-(azidomethyl)-3-(2-methoxyethyl)benzene
SMILESCOCCc1cccc(CN=[N+]=[N-])c1
InChIInChI=1S/C10H13N3O/c1-14-6-5-9-3-2-4-10(7-9)8-12-13-11/h2-4,7H,5-6,8H2,1H3
InChIKeyFWVCNRQEJADZPO-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.69
Rot. Bonds5

About 1-(azidomethyl)-3-(2-methoxyethyl)benzene

1-(azidomethyl)-3-(2-methoxyethyl)benzene (PubChem CID 117109154) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(azidomethyl)-3-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-(azidomethyl)-3-(2-methoxyethyl)benzene
PubChem CID117109154
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(azidomethyl)-3-(2-methoxyethyl)benzene
SMILESCOCCc1cccc(CN=[N+]=[N-])c1
InChIInChI=1S/C10H13N3O/c1-14-6-5-9-3-2-4-10(7-9)8-12-13-11/h2-4,7H,5-6,8H2,1H3
InChIKeyFWVCNRQEJADZPO-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

2-[3-(azidomethyl)phenyl]ethanol
CID 117109153
1-(2-azidoethyl)-3-(methoxymethyl)benzene
CID 150431775
1-(azidomethyl)-3-methylbenzene
CID 2736816
[3-(azidomethyl)phenyl]methanamine
CID 150198428
1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene
CID 117109137
3-(azidomethyl)-N-methylaniline
CID 150848183
N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 53231679
[3-(azidomethyl)phenoxy]-trimethylsilane
CID 150826062
1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene
CID 167413999
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
2-methoxyethylbenzene
CID 19089
4-[[[3-(azidomethyl)phenyl]methyl-methylamino]methyl]-N,N-dimethylaniline
CID 53231787

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-3-(2-methoxyethyl)benzene?
The IUPAC name of 1-(azidomethyl)-3-(2-methoxyethyl)benzene (CID 117109154) is 1-(azidomethyl)-3-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-(azidomethyl)-3-(2-methoxyethyl)benzene?
The canonical SMILES for 1-(azidomethyl)-3-(2-methoxyethyl)benzene is COCCc1cccc(CN=[N+]=[N-])c1.
What is the InChIKey of 1-(azidomethyl)-3-(2-methoxyethyl)benzene?
The InChIKey is FWVCNRQEJADZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-14-6-5-9-3-2-4-10(7-9)8-12-13-11/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 1-(azidomethyl)-3-(2-methoxyethyl)benzene?
1-(azidomethyl)-3-(2-methoxyethyl)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-(azidomethyl)-3-(2-methoxyethyl)benzene is sourced from PubChem (CID 117109154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).