3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline

C13H9BrCl2FNO — CID 43379258

IUPAC3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline
SMILESNc1cc(F)cc(Br)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H9BrCl2FNO/c14-9-4-7(17)5-12(18)13(9)19-6-8-10(15)2-1-3-11(8)16/h1-5H,6,18H2
InChIKeyGFQNGXGNXVOTEI-UHFFFAOYSA-N
MW365.03 g/mol
LogP5.06
Rot. Bonds3

About 3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline

3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline (PubChem CID 43379258) has the molecular formula C13H9BrCl2FNO and a molecular weight of 365.03 g/mol. Its IUPAC name is 3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline.

Molecular Properties

Compound Name3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline
PubChem CID43379258
Molecular FormulaC13H9BrCl2FNO
Molecular Weight365.03 g/mol
Exact Mass362.92
IUPAC Name3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline
SMILESNc1cc(F)cc(Br)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H9BrCl2FNO/c14-9-4-7(17)5-12(18)13(9)19-6-8-10(15)2-1-3-11(8)16/h1-5H,6,18H2
InChIKeyGFQNGXGNXVOTEI-UHFFFAOYSA-N
XLogP5.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.03
LogP ≤ 55.06
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

3-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoroaniline
CID 61496215
3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline
CID 107877984
3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline
CID 43379358
2-[(2-bromo-4-fluorophenoxy)methyl]-3-chloroaniline
CID 63747303
3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
CID 43379359
3-bromo-2-[(2-chloro-6-fluorophenoxy)methyl]aniline
CID 83050868
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387
4-[(2-amino-6-bromo-4-fluorophenoxy)methyl]-3-chlorobenzamide
CID 102663149
[2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 112788149
3-bromo-5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 43379351
3-bromo-5-fluoro-2-(2-fluoroethoxy)aniline
CID 80698590
2-[(3-bromo-4-fluorophenoxy)methyl]-3-chloroaniline
CID 83233189

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline?
The IUPAC name of 3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline (CID 43379258) is 3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline.
What is the SMILES notation for 3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline?
The canonical SMILES for 3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline is Nc1cc(F)cc(Br)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline?
The InChIKey is GFQNGXGNXVOTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FNO/c14-9-4-7(17)5-12(18)13(9)19-6-8-10(15)2-1-3-11(8)16/h1-5H,6,18H2.
What are the key properties of 3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline?
3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline has a molecular weight of 365.03 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline is sourced from PubChem (CID 43379258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).