2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline

C13H10BrClFNO — CID 170702614

IUPAC2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline
SMILESCNc1c(Br)cccc1Oc1cc(F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO/c1-17-13-9(14)3-2-4-11(13)18-12-7-8(16)5-6-10(12)15/h2-7,17H,1H3
InChIKeyAANRSLJCUBCDNV-UHFFFAOYSA-N
MW330.58 g/mol
LogP5.08
Rot. Bonds3

About 2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline

2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline (PubChem CID 170702614) has the molecular formula C13H10BrClFNO and a molecular weight of 330.58 g/mol. Its IUPAC name is 2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline.

Molecular Properties

Compound Name2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline
PubChem CID170702614
Molecular FormulaC13H10BrClFNO
Molecular Weight330.58 g/mol
Exact Mass328.96
IUPAC Name2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline
SMILESCNc1c(Br)cccc1Oc1cc(F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO/c1-17-13-9(14)3-2-4-11(13)18-12-7-8(16)5-6-10(12)15/h2-7,17H,1H3
InChIKeyAANRSLJCUBCDNV-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.58
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(2-chloro-5-fluorophenoxy)-N,3-dimethylaniline
CID 170702594
2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline
CID 170702622
4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-N-methylthiophen-3-amine
CID 177164955
2-bromo-6-fluoro-N-methylaniline
CID 21161540
1-bromo-3-chloro-5-(2-chloro-5-fluorophenoxy)benzene
CID 56833552
[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine
CID 114879926
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
2-chloro-4-fluoro-N-methylaniline
CID 21161232
(2-chloro-5-fluorophenyl) hypoiodite
CID 145463596
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
CID 78955958
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline?
The IUPAC name of 2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline (CID 170702614) is 2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline.
What is the SMILES notation for 2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline?
The canonical SMILES for 2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline is CNc1c(Br)cccc1Oc1cc(F)ccc1Cl.
What is the InChIKey of 2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline?
The InChIKey is AANRSLJCUBCDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO/c1-17-13-9(14)3-2-4-11(13)18-12-7-8(16)5-6-10(12)15/h2-7,17H,1H3.
What are the key properties of 2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline?
2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline has a molecular weight of 330.58 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline is sourced from PubChem (CID 170702614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).