4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline

C15H14BrF2NO2 — CID 65470060

IUPAC4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
SMILESCOc1ccc(CNc2c(F)cc(Br)cc2F)c(OC)c1
InChIInChI=1S/C15H14BrF2NO2/c1-20-11-4-3-9(14(7-11)21-2)8-19-15-12(17)5-10(16)6-13(15)18/h3-7,19H,8H2,1-2H3
InChIKeyYTXBZHPXZJWQLE-UHFFFAOYSA-N
MW358.18 g/mol
LogP4.36
Rot. Bonds5

About 4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline

4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline (PubChem CID 65470060) has the molecular formula C15H14BrF2NO2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
PubChem CID65470060
Molecular FormulaC15H14BrF2NO2
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC Name4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
SMILESCOc1ccc(CNc2c(F)cc(Br)cc2F)c(OC)c1
InChIInChI=1S/C15H14BrF2NO2/c1-20-11-4-3-9(14(7-11)21-2)8-19-15-12(17)5-10(16)6-13(15)18/h3-7,19H,8H2,1-2H3
InChIKeyYTXBZHPXZJWQLE-UHFFFAOYSA-N
XLogP4.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876260
4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716456
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577
5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine
CID 103518137
4-bromo-2,6-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65468405
1-[(3-bromo-5-fluorophenyl)methyl]-3-[(2,4-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111878711

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline?
The IUPAC name of 4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline (CID 65470060) is 4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline is COc1ccc(CNc2c(F)cc(Br)cc2F)c(OC)c1.
What is the InChIKey of 4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline?
The InChIKey is YTXBZHPXZJWQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2/c1-20-11-4-3-9(14(7-11)21-2)8-19-15-12(17)5-10(16)6-13(15)18/h3-7,19H,8H2,1-2H3.
What are the key properties of 4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline?
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline has a molecular weight of 358.18 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline is sourced from PubChem (CID 65470060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).