4-azido-2-methyl-1-phenylbenzene

C13H11N3 — CID 151430322

IUPAC4-azido-2-methyl-1-phenylbenzene
SMILESCc1cc(N=[N+]=[N-])ccc1-c1ccccc1
InChIInChI=1S/C13H11N3/c1-10-9-12(15-16-14)7-8-13(10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyPCJOIAMPCTVENH-UHFFFAOYSA-N
MW209.25 g/mol
LogP4.60
Rot. Bonds2

About 4-azido-2-methyl-1-phenylbenzene

4-azido-2-methyl-1-phenylbenzene (PubChem CID 151430322) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-azido-2-methyl-1-phenylbenzene.

Molecular Properties

Compound Name4-azido-2-methyl-1-phenylbenzene
PubChem CID151430322
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name4-azido-2-methyl-1-phenylbenzene
SMILESCc1cc(N=[N+]=[N-])ccc1-c1ccccc1
InChIInChI=1S/C13H11N3/c1-10-9-12(15-16-14)7-8-13(10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyPCJOIAMPCTVENH-UHFFFAOYSA-N
XLogP4.60
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 54.60
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

4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
2-Naphthylamine
CID 7057
2-Aminofluorene
CID 1539
3,4-Dimethylaniline
CID 7248
3,3'-Diaminobenzidine
CID 7071
3-Aminobiphenyl
CID 16717
Benzidine dihydrochloride
CID 10754
o-Aminoazotoluene
CID 7340
4,5-Dimethyl-1,2-phenylenediamine
CID 76635

Frequently Asked Questions

What is the IUPAC name of 4-azido-2-methyl-1-phenylbenzene?
The IUPAC name of 4-azido-2-methyl-1-phenylbenzene (CID 151430322) is 4-azido-2-methyl-1-phenylbenzene.
What is the SMILES notation for 4-azido-2-methyl-1-phenylbenzene?
The canonical SMILES for 4-azido-2-methyl-1-phenylbenzene is Cc1cc(N=[N+]=[N-])ccc1-c1ccccc1.
What is the InChIKey of 4-azido-2-methyl-1-phenylbenzene?
The InChIKey is PCJOIAMPCTVENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-10-9-12(15-16-14)7-8-13(10)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 4-azido-2-methyl-1-phenylbenzene?
4-azido-2-methyl-1-phenylbenzene has a molecular weight of 209.25 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2-methyl-1-phenylbenzene is sourced from PubChem (CID 151430322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).