1-(azidomethyl)-4-(2-methylphenyl)benzene

C14H13N3 — CID 59969178

IUPAC1-(azidomethyl)-4-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C14H13N3/c1-11-4-2-3-5-14(11)13-8-6-12(7-9-13)10-16-17-15/h2-9H,10H2,1H3
InChIKeyJIOAEQNJSXNJTM-UHFFFAOYSA-N
MW223.28 g/mol
LogP4.47
Rot. Bonds3

About 1-(azidomethyl)-4-(2-methylphenyl)benzene

1-(azidomethyl)-4-(2-methylphenyl)benzene (PubChem CID 59969178) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(azidomethyl)-4-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1-(azidomethyl)-4-(2-methylphenyl)benzene
PubChem CID59969178
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-(azidomethyl)-4-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C14H13N3/c1-11-4-2-3-5-14(11)13-8-6-12(7-9-13)10-16-17-15/h2-9H,10H2,1H3
InChIKeyJIOAEQNJSXNJTM-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
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

2-[4-(azidomethyl)phenyl]-1,1-dimethyl-3,4,5-triphenylthiophene
CID 150701890
N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine
CID 53231791
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene
CID 70431947
1-(azidomethyl)-4-(chloromethyl)benzene
CID 102388598
1-(azidomethyl)-4-fluorobenzene
CID 11205864
1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene
CID 166231145
1-(azidomethyl)-3-methylbenzene
CID 2736816
6-(azidomethyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174537571

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-4-(2-methylphenyl)benzene?
The IUPAC name of 1-(azidomethyl)-4-(2-methylphenyl)benzene (CID 59969178) is 1-(azidomethyl)-4-(2-methylphenyl)benzene.
What is the SMILES notation for 1-(azidomethyl)-4-(2-methylphenyl)benzene?
The canonical SMILES for 1-(azidomethyl)-4-(2-methylphenyl)benzene is Cc1ccccc1-c1ccc(CN=[N+]=[N-])cc1.
What is the InChIKey of 1-(azidomethyl)-4-(2-methylphenyl)benzene?
The InChIKey is JIOAEQNJSXNJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-4-2-3-5-14(11)13-8-6-12(7-9-13)10-16-17-15/h2-9H,10H2,1H3.
What are the key properties of 1-(azidomethyl)-4-(2-methylphenyl)benzene?
1-(azidomethyl)-4-(2-methylphenyl)benzene has a molecular weight of 223.28 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-4-(2-methylphenyl)benzene is sourced from PubChem (CID 59969178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).