5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline

C14H12Br2FNO — CID 79843197

IUPAC5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline
SMILESCc1cc(Br)cc(N)c1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H12Br2FNO/c1-8-4-10(15)6-13(18)14(8)19-7-9-2-3-12(17)11(16)5-9/h2-6H,7,18H2,1H3
InChIKeyZXFQXNNMGNMMGQ-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.82
Rot. Bonds3

About 5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline

5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline (PubChem CID 79843197) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline.

Molecular Properties

Compound Name5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline
PubChem CID79843197
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline
SMILESCc1cc(Br)cc(N)c1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H12Br2FNO/c1-8-4-10(15)6-13(18)14(8)19-7-9-2-3-12(17)11(16)5-9/h2-6H,7,18H2,1H3
InChIKeyZXFQXNNMGNMMGQ-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.82
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-2-[(3-bromo-4-fluorophenyl)methoxy]-1-methyl-3-nitrobenzene
CID 79844534
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957662
[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886486
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 103037907
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline
CID 102615064
5-bromo-2-[(5-bromothiophen-2-yl)methoxy]-3-methylaniline
CID 79843438
5-bromo-2-(methoxymethoxy)-3-methylaniline
CID 79844363
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934
2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962661

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline?
The IUPAC name of 5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline (CID 79843197) is 5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline.
What is the SMILES notation for 5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline?
The canonical SMILES for 5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline is Cc1cc(Br)cc(N)c1OCc1ccc(F)c(Br)c1.
What is the InChIKey of 5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline?
The InChIKey is ZXFQXNNMGNMMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c1-8-4-10(15)6-13(18)14(8)19-7-9-2-3-12(17)11(16)5-9/h2-6H,7,18H2,1H3.
What are the key properties of 5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline?
5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline has a molecular weight of 389.06 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline is sourced from PubChem (CID 79843197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).