N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline

C15H14Br2FNO — CID 43772765

IUPACN-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
SMILESCOc1c(Br)cc(CNc2cc(C)ccc2F)cc1Br
InChIInChI=1S/C15H14Br2FNO/c1-9-3-4-13(18)14(5-9)19-8-10-6-11(16)15(20-2)12(17)7-10/h3-7,19H,8H2,1-2H3
InChIKeySFELLTZYSYJIJV-UHFFFAOYSA-N
MW403.09 g/mol
LogP5.28
Rot. Bonds4

About N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline (PubChem CID 43772765) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
PubChem CID43772765
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
SMILESCOc1c(Br)cc(CNc2cc(C)ccc2F)cc1Br
InChIInChI=1S/C15H14Br2FNO/c1-9-3-4-13(18)14(5-9)19-8-10-6-11(16)15(20-2)12(17)7-10/h3-7,19H,8H2,1-2H3
InChIKeySFELLTZYSYJIJV-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

5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43777556
5-chloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43775987
N-[(3-bromo-4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 105401099
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
CID 43787845
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
2-bromo-5-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 82761852
2-bromo-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 1115726
2-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82761157
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43785217

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline (CID 43772765) is N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline is COc1c(Br)cc(CNc2cc(C)ccc2F)cc1Br.
What is the InChIKey of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
The InChIKey is SFELLTZYSYJIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-9-3-4-13(18)14(5-9)19-8-10-6-11(16)15(20-2)12(17)7-10/h3-7,19H,8H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline 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 N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline is sourced from PubChem (CID 43772765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).