1-azido-2-(2-phenylethyl)benzene

C14H13N3 — CID 10059466

IUPAC1-azido-2-(2-phenylethyl)benzene
SMILES[N-]=[N+]=Nc1ccccc1CCc1ccccc1
InChIInChI=1S/C14H13N3/c15-17-16-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyFOFBFLVWZGYZHY-UHFFFAOYSA-N
MW223.28 g/mol
LogP4.41
Rot. Bonds4

About 1-azido-2-(2-phenylethyl)benzene

1-azido-2-(2-phenylethyl)benzene (PubChem CID 10059466) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-azido-2-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1-azido-2-(2-phenylethyl)benzene
PubChem CID10059466
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-azido-2-(2-phenylethyl)benzene
SMILES[N-]=[N+]=Nc1ccccc1CCc1ccccc1
InChIInChI=1S/C14H13N3/c15-17-16-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyFOFBFLVWZGYZHY-UHFFFAOYSA-N
XLogP4.41
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 54.41
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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Related Compounds

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3-(2-azidophenyl)-N-ethylpropan-1-amine
CID 11790330
benzene;2-phenylethylbenzene
CID 18982764
2-[(2-azidophenyl)methyl]benzotriazole
CID 45103967
2-[(2-azidophenyl)methyl]furan
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1-azido-2-[(2-chlorophenyl)methylsulfanyl]benzene
CID 169325083
hafnium;2-phenylethylbenzene
CID 173109801
5-[2-(2-azidophenyl)ethylamino]-2,2-diphenylpentanenitrile
CID 10318534
4-[(2-azidophenyl)methyl]morpholine
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1-chloro-2-(2-phenylethyl)benzene
CID 21495838

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-(2-phenylethyl)benzene?
The IUPAC name of 1-azido-2-(2-phenylethyl)benzene (CID 10059466) is 1-azido-2-(2-phenylethyl)benzene.
What is the SMILES notation for 1-azido-2-(2-phenylethyl)benzene?
The canonical SMILES for 1-azido-2-(2-phenylethyl)benzene is [N-]=[N+]=Nc1ccccc1CCc1ccccc1.
What is the InChIKey of 1-azido-2-(2-phenylethyl)benzene?
The InChIKey is FOFBFLVWZGYZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-17-16-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 1-azido-2-(2-phenylethyl)benzene?
1-azido-2-(2-phenylethyl)benzene has a molecular weight of 223.28 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-(2-phenylethyl)benzene is sourced from PubChem (CID 10059466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).