2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline

C8H8Br2FNO — CID 134599260

IUPAC2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline
SMILESCOc1c(F)c(C)c(Br)c(N)c1Br
InChIInChI=1S/C8H8Br2FNO/c1-3-4(9)7(12)5(10)8(13-2)6(3)11/h12H2,1-2H3
InChIKeyNDIVSORSVUFILX-UHFFFAOYSA-N
MW312.96 g/mol
LogP3.25
Rot. Bonds1

About 2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline

2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline (PubChem CID 134599260) has the molecular formula C8H8Br2FNO and a molecular weight of 312.96 g/mol. Its IUPAC name is 2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline
PubChem CID134599260
Molecular FormulaC8H8Br2FNO
Molecular Weight312.96 g/mol
Exact Mass310.90
IUPAC Name2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline
SMILESCOc1c(F)c(C)c(Br)c(N)c1Br
InChIInChI=1S/C8H8Br2FNO/c1-3-4(9)7(12)5(10)8(13-2)6(3)11/h12H2,1-2H3
InChIKeyNDIVSORSVUFILX-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.96
LogP ≤ 53.25
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-2,4,6-trifluoro-5-methylaniline
CID 77134473
2,4,6-tribromo-5-methylbenzene-1,3-diamine
CID 157076540
2-bromo-3,5-difluoro-4-methoxyaniline
CID 141136680
3-bromo-5-fluoro-2,4-dimethoxyaniline
CID 84803833
2-bromo-3,6-difluoro-4-methoxyaniline
CID 106701642
5-bromo-2-methoxy-3,4-dimethyl-6-nitroaniline
CID 23258551
ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
CID 168911616
2,4,6-tribromo-3-fluoro-5-methoxypyridine
CID 10666436
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
1-bromo-2,3,5-trifluoro-4,6-dimethylbenzene
CID 77134458
3-fluoro-6-iodo-2-methoxy-4-methylaniline
CID 177062640
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline?
The IUPAC name of 2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline (CID 134599260) is 2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline.
What is the SMILES notation for 2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline?
The canonical SMILES for 2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline is COc1c(F)c(C)c(Br)c(N)c1Br.
What is the InChIKey of 2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline?
The InChIKey is NDIVSORSVUFILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2FNO/c1-3-4(9)7(12)5(10)8(13-2)6(3)11/h12H2,1-2H3.
What are the key properties of 2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline?
2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline has a molecular weight of 312.96 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-fluoro-3-methoxy-5-methylaniline is sourced from PubChem (CID 134599260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).