5-bromo-2-(4-bromo-2-methylphenoxy)aniline

C13H11Br2NO — CID 63457786

IUPAC5-bromo-2-(4-bromo-2-methylphenoxy)aniline
SMILESCc1cc(Br)ccc1Oc1ccc(Br)cc1N
InChIInChI=1S/C13H11Br2NO/c1-8-6-9(14)2-4-12(8)17-13-5-3-10(15)7-11(13)16/h2-7H,16H2,1H3
InChIKeyMMSIXFANMKLSNJ-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.89
Rot. Bonds2

About 5-bromo-2-(4-bromo-2-methylphenoxy)aniline

5-bromo-2-(4-bromo-2-methylphenoxy)aniline (PubChem CID 63457786) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-2-methylphenoxy)aniline.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-2-methylphenoxy)aniline
PubChem CID63457786
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name5-bromo-2-(4-bromo-2-methylphenoxy)aniline
SMILESCc1cc(Br)ccc1Oc1ccc(Br)cc1N
InChIInChI=1S/C13H11Br2NO/c1-8-6-9(14)2-4-12(8)17-13-5-3-10(15)7-11(13)16/h2-7H,16H2,1H3
InChIKeyMMSIXFANMKLSNJ-UHFFFAOYSA-N
XLogP4.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2,3-dimethylphenoxy)aniline
CID 26190424
5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
4-bromo-2-(4-chloro-2-methylphenoxy)aniline
CID 65342319
3-(2-amino-4-bromophenoxy)-4-methylbenzonitrile
CID 107655195
O-(4-bromo-2-methylphenyl)hydroxylamine
CID 130500330
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
2-(2-amino-4-bromophenoxy)-5-methylbenzonitrile
CID 114017421
5-bromo-2-[(4-bromo-2-methylphenoxy)methyl]aniline
CID 114380845
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
3-(4-bromo-2-methylphenoxy)-5-methoxyaniline
CID 80749253
azane;4-bromo-2-methylaniline
CID 175038668

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-2-methylphenoxy)aniline?
The IUPAC name of 5-bromo-2-(4-bromo-2-methylphenoxy)aniline (CID 63457786) is 5-bromo-2-(4-bromo-2-methylphenoxy)aniline.
What is the SMILES notation for 5-bromo-2-(4-bromo-2-methylphenoxy)aniline?
The canonical SMILES for 5-bromo-2-(4-bromo-2-methylphenoxy)aniline is Cc1cc(Br)ccc1Oc1ccc(Br)cc1N.
What is the InChIKey of 5-bromo-2-(4-bromo-2-methylphenoxy)aniline?
The InChIKey is MMSIXFANMKLSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c1-8-6-9(14)2-4-12(8)17-13-5-3-10(15)7-11(13)16/h2-7H,16H2,1H3.
What are the key properties of 5-bromo-2-(4-bromo-2-methylphenoxy)aniline?
5-bromo-2-(4-bromo-2-methylphenoxy)aniline has a molecular weight of 357.05 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-2-methylphenoxy)aniline is sourced from PubChem (CID 63457786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).