4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline

C10H12BrN5 — CID 104815350

IUPAC4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline
SMILESCCc1nnnn1-c1cc(N)c(C)cc1Br
InChIInChI=1S/C10H12BrN5/c1-3-10-13-14-15-16(10)9-5-8(12)6(2)4-7(9)11/h4-5H,3,12H2,1-2H3
InChIKeyMNRCGPDZFNHXCM-UHFFFAOYSA-N
MW282.15 g/mol
LogP1.88
Rot. Bonds2

About 4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline

4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline (PubChem CID 104815350) has the molecular formula C10H12BrN5 and a molecular weight of 282.15 g/mol. Its IUPAC name is 4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline.

Molecular Properties

Compound Name4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline
PubChem CID104815350
Molecular FormulaC10H12BrN5
Molecular Weight282.15 g/mol
Exact Mass281.03
IUPAC Name4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline
SMILESCCc1nnnn1-c1cc(N)c(C)cc1Br
InChIInChI=1S/C10H12BrN5/c1-3-10-13-14-15-16(10)9-5-8(12)6(2)4-7(9)11/h4-5H,3,12H2,1-2H3
InChIKeyMNRCGPDZFNHXCM-UHFFFAOYSA-N
XLogP1.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 51.88
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-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline
CID 62097935
N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 113445682
4,5-dimethyl-2-(5-propyltetrazol-1-yl)aniline
CID 62098105
1-(3-bromo-5-methylphenyl)-5-ethyltetrazole
CID 107584067
N-[[1-(2-bromo-4-methyl-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine
CID 104815553
N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 104725249
1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole
CID 107592775
1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole
CID 65431446
1-(4-bromo-2-methylphenyl)-5-propyltetrazole
CID 62083280
3-bromo-5-(5-ethyltetrazol-1-yl)pyridine
CID 130487263
3-(5-ethyltetrazol-1-yl)aniline
CID 43424026
N-[[1-(2-bromo-4-methyl-5-nitrophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 104815556

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline?
The IUPAC name of 4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline (CID 104815350) is 4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline.
What is the SMILES notation for 4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline?
The canonical SMILES for 4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline is CCc1nnnn1-c1cc(N)c(C)cc1Br.
What is the InChIKey of 4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline?
The InChIKey is MNRCGPDZFNHXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-3-10-13-14-15-16(10)9-5-8(12)6(2)4-7(9)11/h4-5H,3,12H2,1-2H3.
What are the key properties of 4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline?
4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline has a molecular weight of 282.15 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline is sourced from PubChem (CID 104815350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).