2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline

C15H14Br2FNO2 — CID 103412830

IUPAC2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
SMILESCOc1ccc(CNc2cc(OC)c(Br)cc2Br)c(F)c1
InChIInChI=1S/C15H14Br2FNO2/c1-20-10-4-3-9(13(18)5-10)8-19-14-7-15(21-2)12(17)6-11(14)16/h3-7,19H,8H2,1-2H3
InChIKeyMDUAHPQJZBXDHH-UHFFFAOYSA-N
MW419.09 g/mol
LogP4.98
Rot. Bonds5

About 2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline

2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline (PubChem CID 103412830) has the molecular formula C15H14Br2FNO2 and a molecular weight of 419.09 g/mol. Its IUPAC name is 2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
PubChem CID103412830
Molecular FormulaC15H14Br2FNO2
Molecular Weight419.09 g/mol
Exact Mass416.94
IUPAC Name2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
SMILESCOc1ccc(CNc2cc(OC)c(Br)cc2Br)c(F)c1
InChIInChI=1S/C15H14Br2FNO2/c1-20-10-4-3-9(13(18)5-10)8-19-14-7-15(21-2)12(17)6-11(14)16/h3-7,19H,8H2,1-2H3
InChIKeyMDUAHPQJZBXDHH-UHFFFAOYSA-N
XLogP4.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.09
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline
CID 103413131
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876267
2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876260
2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 103478952
4-chloro-2-[(2,4-dibromo-5-methoxyanilino)methyl]phenol
CID 103411754
2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline
CID 103412284
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107610996
2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline
CID 102876635
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxyaniline
CID 43233998
2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline
CID 103412160

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline?
The IUPAC name of 2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline (CID 103412830) is 2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline.
What is the SMILES notation for 2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline?
The canonical SMILES for 2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline is COc1ccc(CNc2cc(OC)c(Br)cc2Br)c(F)c1.
What is the InChIKey of 2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline?
The InChIKey is MDUAHPQJZBXDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO2/c1-20-10-4-3-9(13(18)5-10)8-19-14-7-15(21-2)12(17)6-11(14)16/h3-7,19H,8H2,1-2H3.
What are the key properties of 2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline?
2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline has a molecular weight of 419.09 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline is sourced from PubChem (CID 103412830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).