(1-azido-1-phenylethyl)benzene

C14H13N3 — CID 2769488

IUPAC(1-azido-1-phenylethyl)benzene
SMILESCC(N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3/c1-14(16-17-15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyIHGZUIPVMGBUAK-UHFFFAOYSA-N
MW223.28 g/mol
LogP4.26
Rot. Bonds3

About (1-azido-1-phenylethyl)benzene

(1-azido-1-phenylethyl)benzene (PubChem CID 2769488) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is (1-azido-1-phenylethyl)benzene.

Molecular Properties

Compound Name(1-azido-1-phenylethyl)benzene
PubChem CID2769488
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name(1-azido-1-phenylethyl)benzene
SMILESCC(N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3/c1-14(16-17-15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyIHGZUIPVMGBUAK-UHFFFAOYSA-N
XLogP4.26
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 54.26
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-azido-1-phenylethyl)benzene?
The IUPAC name of (1-azido-1-phenylethyl)benzene (CID 2769488) is (1-azido-1-phenylethyl)benzene.
What is the SMILES notation for (1-azido-1-phenylethyl)benzene?
The canonical SMILES for (1-azido-1-phenylethyl)benzene is CC(N=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-azido-1-phenylethyl)benzene?
The InChIKey is IHGZUIPVMGBUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-14(16-17-15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of (1-azido-1-phenylethyl)benzene?
(1-azido-1-phenylethyl)benzene has a molecular weight of 223.28 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-azido-1-phenylethyl)benzene is sourced from PubChem (CID 2769488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).