1-(azidomethyl)-3-phenylbenzene

C13H11N3 — CID 71513995

IUPAC1-(azidomethyl)-3-phenylbenzene
SMILES[N-]=[N+]=NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H11N3/c14-16-15-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyTZADQLKSFCVOTC-UHFFFAOYSA-N
MW209.25 g/mol
LogP4.16
Rot. Bonds3

About 1-(azidomethyl)-3-phenylbenzene

1-(azidomethyl)-3-phenylbenzene (PubChem CID 71513995) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(azidomethyl)-3-phenylbenzene.

Molecular Properties

Compound Name1-(azidomethyl)-3-phenylbenzene
PubChem CID71513995
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name1-(azidomethyl)-3-phenylbenzene
SMILES[N-]=[N+]=NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H11N3/c14-16-15-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeyTZADQLKSFCVOTC-UHFFFAOYSA-N
XLogP4.16
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-3-phenylbenzene?
The IUPAC name of 1-(azidomethyl)-3-phenylbenzene (CID 71513995) is 1-(azidomethyl)-3-phenylbenzene.
What is the SMILES notation for 1-(azidomethyl)-3-phenylbenzene?
The canonical SMILES for 1-(azidomethyl)-3-phenylbenzene is [N-]=[N+]=NCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(azidomethyl)-3-phenylbenzene?
The InChIKey is TZADQLKSFCVOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-16-15-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2.
What are the key properties of 1-(azidomethyl)-3-phenylbenzene?
1-(azidomethyl)-3-phenylbenzene has a molecular weight of 209.25 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-3-phenylbenzene is sourced from PubChem (CID 71513995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).