2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole

C15H15Br2N5O2 — CID 159756962

IUPAC2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2cnnn2)c(Br)c1.COc1ccc(N)c(Br)c1
InChIInChI=1S/C8H7BrN4O.C7H8BrNO/c1-14-6-2-3-8(7(9)4-6)13-5-10-11-12-13;1-10-5-2-3-7(9)6(8)4-5/h2-5H,1H3;2-4H,9H2,1H3
InChIKeyNEJTZVBCHYFZQO-UHFFFAOYSA-N
MW457.13 g/mol
LogP3.47
Rot. Bonds3

About 2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole

2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole (PubChem CID 159756962) has the molecular formula C15H15Br2N5O2 and a molecular weight of 457.13 g/mol. Its IUPAC name is 2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole
PubChem CID159756962
Molecular FormulaC15H15Br2N5O2
Molecular Weight457.13 g/mol
Exact Mass454.96
IUPAC Name2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2cnnn2)c(Br)c1.COc1ccc(N)c(Br)c1
InChIInChI=1S/C8H7BrN4O.C7H8BrNO/c1-14-6-2-3-8(7(9)4-6)13-5-10-11-12-13;1-10-5-2-3-7(9)6(8)4-5/h2-5H,1H3;2-4H,9H2,1H3
InChIKeyNEJTZVBCHYFZQO-UHFFFAOYSA-N
XLogP3.47
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.13
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-5-(tetrazol-1-yl)aniline
CID 155271214
N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide
CID 46983508
2-bromo-4-(4-methoxyphenyl)aniline
CID 115051245
1-(2-bromo-3-methoxyphenyl)tetrazole
CID 18787105
2-bromo-4-trimethylsilyloxyaniline
CID 130639886
1-(2-bromo-5-methoxyphenyl)triazol-4-amine
CID 79508207
1-(4-bromo-2-tert-butylphenyl)tetrazole
CID 153287045
1-[4-[(4-bromo-2,5-dimethoxyphenyl)methoxy]phenyl]tetrazole
CID 8900468
6-bromo-2-(4-methoxyphenyl)benzotriazol-5-amine
CID 891890
1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
CID 168558910
4-chloro-3-fluoro-2-(6-methoxypyrimidin-4-yl)aniline;4-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-6-methoxypyrimidine
CID 157256032
4-methoxy-2-pyrazol-1-ylaniline
CID 16744027

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole?
The IUPAC name of 2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole (CID 159756962) is 2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole.
What is the SMILES notation for 2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole?
The canonical SMILES for 2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole is COc1ccc(-n2cnnn2)c(Br)c1.COc1ccc(N)c(Br)c1.
What is the InChIKey of 2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole?
The InChIKey is NEJTZVBCHYFZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O.C7H8BrNO/c1-14-6-2-3-8(7(9)4-6)13-5-10-11-12-13;1-10-5-2-3-7(9)6(8)4-5/h2-5H,1H3;2-4H,9H2,1H3.
What are the key properties of 2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole?
2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole has a molecular weight of 457.13 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole is sourced from PubChem (CID 159756962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).