2-azido-5-(3-methylphenyl)aniline

C13H12N4 — CID 23461148

IUPAC2-azido-5-(3-methylphenyl)aniline
SMILESCc1cccc(-c2ccc(N=[N+]=[N-])c(N)c2)c1
InChIInChI=1S/C13H12N4/c1-9-3-2-4-10(7-9)11-5-6-13(16-17-15)12(14)8-11/h2-8H,14H2,1H3
InChIKeyLOVAZHHQAODFMC-UHFFFAOYSA-N
MW224.27 g/mol
LogP4.19
Rot. Bonds2

About 2-azido-5-(3-methylphenyl)aniline

2-azido-5-(3-methylphenyl)aniline (PubChem CID 23461148) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-azido-5-(3-methylphenyl)aniline.

Molecular Properties

Compound Name2-azido-5-(3-methylphenyl)aniline
PubChem CID23461148
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-azido-5-(3-methylphenyl)aniline
SMILESCc1cccc(-c2ccc(N=[N+]=[N-])c(N)c2)c1
InChIInChI=1S/C13H12N4/c1-9-3-2-4-10(7-9)11-5-6-13(16-17-15)12(14)8-11/h2-8H,14H2,1H3
InChIKeyLOVAZHHQAODFMC-UHFFFAOYSA-N
XLogP4.19
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
2-azido-4-(4-methylphenyl)phenol
CID 11586627
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
methanamine;1-methyl-3-phenylbenzene
CID 145414985
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1,3-diazido-2-methylbenzene
CID 71379514
4-methyl-7-(3-methylphenyl)naphthalen-2-amine
CID 167271661
1-azido-2-methoxy-4-methylbenzene
CID 152671087
ethane;1-methyl-3-phenylbenzene
CID 142040878

Frequently Asked Questions

What is the IUPAC name of 2-azido-5-(3-methylphenyl)aniline?
The IUPAC name of 2-azido-5-(3-methylphenyl)aniline (CID 23461148) is 2-azido-5-(3-methylphenyl)aniline.
What is the SMILES notation for 2-azido-5-(3-methylphenyl)aniline?
The canonical SMILES for 2-azido-5-(3-methylphenyl)aniline is Cc1cccc(-c2ccc(N=[N+]=[N-])c(N)c2)c1.
What is the InChIKey of 2-azido-5-(3-methylphenyl)aniline?
The InChIKey is LOVAZHHQAODFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-3-2-4-10(7-9)11-5-6-13(16-17-15)12(14)8-11/h2-8H,14H2,1H3.
What are the key properties of 2-azido-5-(3-methylphenyl)aniline?
2-azido-5-(3-methylphenyl)aniline has a molecular weight of 224.27 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-(3-methylphenyl)aniline is sourced from PubChem (CID 23461148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).