2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline

C15H14BrN5 — CID 61378530

IUPAC2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-n2nnnc2-c2ccc(Br)c(N)c2)c1C
InChIInChI=1S/C15H14BrN5/c1-9-4-3-5-14(10(9)2)21-15(18-19-20-21)11-6-7-12(16)13(17)8-11/h3-8H,17H2,1-2H3
InChIKeyFVDAYGHMGOXALE-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.29
Rot. Bonds2

About 2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline

2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline (PubChem CID 61378530) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline
PubChem CID61378530
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-n2nnnc2-c2ccc(Br)c(N)c2)c1C
InChIInChI=1S/C15H14BrN5/c1-9-4-3-5-14(10(9)2)21-15(18-19-20-21)11-6-7-12(16)13(17)8-11/h3-8H,17H2,1-2H3
InChIKeyFVDAYGHMGOXALE-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

2-bromo-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376028
3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline
CID 61351813
2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline
CID 61353674
2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61353068
2-methyl-4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378361
2-bromo-5-[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107638824
4-[1-(2,5-dibromophenyl)tetrazol-5-yl]-2-methylaniline
CID 61469848
2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 82779532
2-[1-(3-bromo-2-methylphenyl)tetrazol-5-yl]-6-methylaniline
CID 107638706
4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61353402
3-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61354212
2-[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 81256096

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline (CID 61378530) is 2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline is Cc1cccc(-n2nnnc2-c2ccc(Br)c(N)c2)c1C.
What is the InChIKey of 2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline?
The InChIKey is FVDAYGHMGOXALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-9-4-3-5-14(10(9)2)21-15(18-19-20-21)11-6-7-12(16)13(17)8-11/h3-8H,17H2,1-2H3.
What are the key properties of 2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline?
2-bromo-5-[1-(2,3-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 2-bromo-5-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61378530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).