1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene

C11H15N3O — CID 117109137

IUPAC1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene
SMILESCOC(C)(C)c1cccc(CN=[N+]=[N-])c1
InChIInChI=1S/C11H15N3O/c1-11(2,15-3)10-6-4-5-9(7-10)8-13-14-12/h4-7H,8H2,1-3H3
InChIKeyORTYDDGOSXZQGG-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.38
Rot. Bonds4

About 1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene

1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene (PubChem CID 117109137) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene
PubChem CID117109137
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene
SMILESCOC(C)(C)c1cccc(CN=[N+]=[N-])c1
InChIInChI=1S/C11H15N3O/c1-11(2,15-3)10-6-4-5-9(7-10)8-13-14-12/h4-7H,8H2,1-3H3
InChIKeyORTYDDGOSXZQGG-UHFFFAOYSA-N
XLogP3.38
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.38
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'}

Analyze 1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azidomethyl)-3-(2-methoxyethyl)benzene
CID 117109154
1-(azidomethyl)-3-methylbenzene
CID 2736816
3-(azidomethyl)-N-methylaniline
CID 150848183
1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine
CID 117111249
[3-(azidomethyl)phenyl]methanamine
CID 150198428
[3-(azidomethyl)phenoxy]-trimethylsilane
CID 150826062
3-[3-(2-methoxypropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117107885
2-[3-(azidomethyl)phenyl]ethanol
CID 117109153
N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 53231679
1-[3-(azidomethyl)phenyl]ethanone;1-[3-(bromomethyl)phenyl]ethanone
CID 157481352
methyl 2-[3-(azidomethyl)anilino]-2-phenylacetate
CID 86757685
3-(azidomethyl)benzamide
CID 61374948

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene?
The IUPAC name of 1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene (CID 117109137) is 1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene.
What is the SMILES notation for 1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene?
The canonical SMILES for 1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene is COC(C)(C)c1cccc(CN=[N+]=[N-])c1.
What is the InChIKey of 1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene?
The InChIKey is ORTYDDGOSXZQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2,15-3)10-6-4-5-9(7-10)8-13-14-12/h4-7H,8H2,1-3H3.
What are the key properties of 1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene?
1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene has a molecular weight of 205.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene is sourced from PubChem (CID 117109137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).