1-(2-azidopropan-2-yl)-2-phenylbenzene

C15H15N3 — CID 601770

IUPAC1-(2-azidopropan-2-yl)-2-phenylbenzene
SMILESCC(C)(N=[N+]=[N-])c1ccccc1-c1ccccc1
InChIInChI=1S/C15H15N3/c1-15(2,17-18-16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyCFVRDTXEERUSPQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP4.90
Rot. Bonds3

About 1-(2-azidopropan-2-yl)-2-phenylbenzene

1-(2-azidopropan-2-yl)-2-phenylbenzene (PubChem CID 601770) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(2-azidopropan-2-yl)-2-phenylbenzene.

Molecular Properties

Compound Name1-(2-azidopropan-2-yl)-2-phenylbenzene
PubChem CID601770
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1-(2-azidopropan-2-yl)-2-phenylbenzene
SMILESCC(C)(N=[N+]=[N-])c1ccccc1-c1ccccc1
InChIInChI=1S/C15H15N3/c1-15(2,17-18-16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyCFVRDTXEERUSPQ-UHFFFAOYSA-N
XLogP4.90
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 54.90
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-(2-azidopropan-2-yl)-2-phenylbenzene?
The IUPAC name of 1-(2-azidopropan-2-yl)-2-phenylbenzene (CID 601770) is 1-(2-azidopropan-2-yl)-2-phenylbenzene.
What is the SMILES notation for 1-(2-azidopropan-2-yl)-2-phenylbenzene?
The canonical SMILES for 1-(2-azidopropan-2-yl)-2-phenylbenzene is CC(C)(N=[N+]=[N-])c1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-azidopropan-2-yl)-2-phenylbenzene?
The InChIKey is CFVRDTXEERUSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-15(2,17-18-16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of 1-(2-azidopropan-2-yl)-2-phenylbenzene?
1-(2-azidopropan-2-yl)-2-phenylbenzene has a molecular weight of 237.31 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidopropan-2-yl)-2-phenylbenzene is sourced from PubChem (CID 601770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).