5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline

C13H9Br2ClFNO — CID 103482999

IUPAC5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1OCc1ccc(Br)cc1Cl
InChIInChI=1S/C13H9Br2ClFNO/c14-8-2-1-7(10(16)3-8)6-19-13-5-11(17)9(15)4-12(13)18/h1-5H,6,18H2
InChIKeyIMEWFGPKNAKOMJ-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.17
Rot. Bonds3

About 5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline

5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline (PubChem CID 103482999) has the molecular formula C13H9Br2ClFNO and a molecular weight of 409.48 g/mol. Its IUPAC name is 5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline
PubChem CID103482999
Molecular FormulaC13H9Br2ClFNO
Molecular Weight409.48 g/mol
Exact Mass406.87
IUPAC Name5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1OCc1ccc(Br)cc1Cl
InChIInChI=1S/C13H9Br2ClFNO/c14-8-2-1-7(10(16)3-8)6-19-13-5-11(17)9(15)4-12(13)18/h1-5H,6,18H2
InChIKeyIMEWFGPKNAKOMJ-UHFFFAOYSA-N
XLogP5.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.17
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-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
CID 103483039
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720
[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697
5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
CID 103482967
(1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 104862282
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]aniline
CID 60791838
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 60879629
5-bromo-2-[(3-chloro-2-fluorophenoxy)methyl]aniline
CID 114380891
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272
3-[(2-amino-4-bromo-5-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 107113784
5-bromo-2-[(2-chlorophenoxy)methyl]aniline
CID 114380727
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline?
The IUPAC name of 5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline (CID 103482999) is 5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline is Nc1cc(Br)c(F)cc1OCc1ccc(Br)cc1Cl.
What is the InChIKey of 5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline?
The InChIKey is IMEWFGPKNAKOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClFNO/c14-8-2-1-7(10(16)3-8)6-19-13-5-11(17)9(15)4-12(13)18/h1-5H,6,18H2.
What are the key properties of 5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline?
5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline has a molecular weight of 409.48 g/mol, XLogP of 5.17, 3 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-chlorophenyl)methoxy]-4-fluoroaniline is sourced from PubChem (CID 103482999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).