5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline

C15H14BrN5 — CID 102706323

IUPAC5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline
SMILESCc1cc(C)c(-c2nnnn2-c2ccc(Br)cc2)cc1N
InChIInChI=1S/C15H14BrN5/c1-9-7-10(2)14(17)8-13(9)15-18-19-20-21(15)12-5-3-11(16)4-6-12/h3-8H,17H2,1-2H3
InChIKeyFWUJMMNAMJOXCG-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.29
Rot. Bonds2

About 5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline

5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline (PubChem CID 102706323) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline.

Molecular Properties

Compound Name5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline
PubChem CID102706323
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline
SMILESCc1cc(C)c(-c2nnnn2-c2ccc(Br)cc2)cc1N
InChIInChI=1S/C15H14BrN5/c1-9-7-10(2)14(17)8-13(9)15-18-19-20-21(15)12-5-3-11(16)4-6-12/h3-8H,17H2,1-2H3
InChIKeyFWUJMMNAMJOXCG-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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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline?
The IUPAC name of 5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline (CID 102706323) is 5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline.
What is the SMILES notation for 5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline?
The canonical SMILES for 5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline is Cc1cc(C)c(-c2nnnn2-c2ccc(Br)cc2)cc1N.
What is the InChIKey of 5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline?
The InChIKey is FWUJMMNAMJOXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-9-7-10(2)14(17)8-13(9)15-18-19-20-21(15)12-5-3-11(16)4-6-12/h3-8H,17H2,1-2H3.
What are the key properties of 5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline?
5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline 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 5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline is sourced from PubChem (CID 102706323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).