4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline

C15H14BrN5 — CID 107577692

IUPAC4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1cc(-n2nnnc2-c2ccc(N)cc2)cc(C)c1Br
InChIInChI=1S/C15H14BrN5/c1-9-7-13(8-10(2)14(9)16)21-15(18-19-20-21)11-3-5-12(17)6-4-11/h3-8H,17H2,1-2H3
InChIKeyRPFRTSZEYGNIJH-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.29
Rot. Bonds2

About 4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline

4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline (PubChem CID 107577692) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline
PubChem CID107577692
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1cc(-n2nnnc2-c2ccc(N)cc2)cc(C)c1Br
InChIInChI=1S/C15H14BrN5/c1-9-7-13(8-10(2)14(9)16)21-15(18-19-20-21)11-3-5-12(17)6-4-11/h3-8H,17H2,1-2H3
InChIKeyRPFRTSZEYGNIJH-UHFFFAOYSA-N
XLogP3.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61352610
4-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 107593850
4-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353201
4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61353402
4-[1-(2,5-dibromophenyl)tetrazol-5-yl]aniline
CID 61470384
4-[1-(4-propylphenyl)tetrazol-5-yl]aniline
CID 61352802
[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine
CID 107579309
4-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353601
4-[1-(4-bromo-3-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62683011
4-[1-(3-bromo-5-methylphenyl)tetrazol-5-yl]-3-methylaniline
CID 107577734
4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline
CID 61354005
4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107370344

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline (CID 107577692) is 4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline is Cc1cc(-n2nnnc2-c2ccc(N)cc2)cc(C)c1Br.
What is the InChIKey of 4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline?
The InChIKey is RPFRTSZEYGNIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-9-7-13(8-10(2)14(9)16)21-15(18-19-20-21)11-3-5-12(17)6-4-11/h3-8H,17H2,1-2H3.
What are the key properties of 4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline?
4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline has a molecular weight of 344.22 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 107577692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).