2-(2-bromophenoxy)-4-chloroaniline

C12H9BrClNO — CID 115469253

IUPAC2-(2-bromophenoxy)-4-chloroaniline
SMILESNc1ccc(Cl)cc1Oc1ccccc1Br
InChIInChI=1S/C12H9BrClNO/c13-9-3-1-2-4-11(9)16-12-7-8(14)5-6-10(12)15/h1-7H,15H2
InChIKeyDGTSPDWVWQYPJJ-UHFFFAOYSA-N
MW298.57 g/mol
LogP4.48
Rot. Bonds2

About 2-(2-bromophenoxy)-4-chloroaniline

2-(2-bromophenoxy)-4-chloroaniline (PubChem CID 115469253) has the molecular formula C12H9BrClNO and a molecular weight of 298.57 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-4-chloroaniline.

Molecular Properties

Compound Name2-(2-bromophenoxy)-4-chloroaniline
PubChem CID115469253
Molecular FormulaC12H9BrClNO
Molecular Weight298.57 g/mol
Exact Mass296.96
IUPAC Name2-(2-bromophenoxy)-4-chloroaniline
SMILESNc1ccc(Cl)cc1Oc1ccccc1Br
InChIInChI=1S/C12H9BrClNO/c13-9-3-1-2-4-11(9)16-12-7-8(14)5-6-10(12)15/h1-7H,15H2
InChIKeyDGTSPDWVWQYPJJ-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 54.48
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

4-chloro-2-(2-iodophenoxy)aniline
CID 115469275
2-(2-bromo-4-methylphenoxy)-4-chloroaniline
CID 113315875
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
2-[2-bromo-4-(trifluoromethyl)phenoxy]-4-chloroaniline
CID 115511836
2-(2-amino-5-chlorophenoxy)benzamide
CID 113315871
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
2-(2-bromophenyl)-4-chloroaniline
CID 115503545
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
2-[3-(2-bromo-4-chlorophenoxy)propoxy]aniline
CID 43365975
4-bromo-2-(4-chloro-2-methylphenoxy)aniline
CID 65342319
2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline
CID 60789446

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-4-chloroaniline?
The IUPAC name of 2-(2-bromophenoxy)-4-chloroaniline (CID 115469253) is 2-(2-bromophenoxy)-4-chloroaniline.
What is the SMILES notation for 2-(2-bromophenoxy)-4-chloroaniline?
The canonical SMILES for 2-(2-bromophenoxy)-4-chloroaniline is Nc1ccc(Cl)cc1Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-4-chloroaniline?
The InChIKey is DGTSPDWVWQYPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO/c13-9-3-1-2-4-11(9)16-12-7-8(14)5-6-10(12)15/h1-7H,15H2.
What are the key properties of 2-(2-bromophenoxy)-4-chloroaniline?
2-(2-bromophenoxy)-4-chloroaniline has a molecular weight of 298.57 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-4-chloroaniline is sourced from PubChem (CID 115469253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).