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

C15H14Br2FNO — CID 103413131

IUPAC2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline
SMILESCOc1cc(NCc2cc(F)ccc2C)c(Br)cc1Br
InChIInChI=1S/C15H14Br2FNO/c1-9-3-4-11(18)5-10(9)8-19-14-7-15(20-2)13(17)6-12(14)16/h3-7,19H,8H2,1-2H3
InChIKeyMLNQOJWGFGMNIO-UHFFFAOYSA-N
MW403.09 g/mol
LogP5.28
Rot. Bonds4

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

2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline (PubChem CID 103413131) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is 2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline
PubChem CID103413131
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline
SMILESCOc1cc(NCc2cc(F)ccc2C)c(Br)cc1Br
InChIInChI=1S/C15H14Br2FNO/c1-9-3-4-11(18)5-10(9)8-19-14-7-15(20-2)13(17)6-12(14)16/h3-7,19H,8H2,1-2H3
InChIKeyMLNQOJWGFGMNIO-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.09
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 1115738
2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-4,5-dimethoxyaniline
CID 103944246
2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
CID 103412830
4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 105370653
2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline
CID 103412284
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline
CID 103412160
4-chloro-2-[(2,4-dibromo-5-methoxyanilino)methyl]phenol
CID 103411754
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
CID 43764075

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline?
The IUPAC name of 2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline (CID 103413131) is 2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline.
What is the SMILES notation for 2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline?
The canonical SMILES for 2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline is COc1cc(NCc2cc(F)ccc2C)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline?
The InChIKey is MLNQOJWGFGMNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-9-3-4-11(18)5-10(9)8-19-14-7-15(20-2)13(17)6-12(14)16/h3-7,19H,8H2,1-2H3.
What are the key properties of 2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline?
2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline has a molecular weight of 403.09 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline is sourced from PubChem (CID 103413131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).