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

C15H14Br3NO — CID 43787845

IUPAC5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
SMILESCOc1c(Br)cc(CNc2cc(Br)ccc2C)cc1Br
InChIInChI=1S/C15H14Br3NO/c1-9-3-4-11(16)7-14(9)19-8-10-5-12(17)15(20-2)13(18)6-10/h3-7,19H,8H2,1-2H3
InChIKeyYEDDRRRZVCYHHN-UHFFFAOYSA-N
MW464.00 g/mol
LogP5.90
Rot. Bonds4

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

5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline (PubChem CID 43787845) has the molecular formula C15H14Br3NO and a molecular weight of 464.00 g/mol. Its IUPAC name is 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
PubChem CID43787845
Molecular FormulaC15H14Br3NO
Molecular Weight464.00 g/mol
Exact Mass460.86
IUPAC Name5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
SMILESCOc1c(Br)cc(CNc2cc(Br)ccc2C)cc1Br
InChIInChI=1S/C15H14Br3NO/c1-9-3-4-11(16)7-14(9)19-8-10-5-12(17)15(20-2)13(18)6-10/h3-7,19H,8H2,1-2H3
InChIKeyYEDDRRRZVCYHHN-UHFFFAOYSA-N
XLogP5.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.00
LogP ≤ 55.90
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
4-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953832
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43785217
2,4-dibromo-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]aniline
CID 43683217
2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
CID 60960746
5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 43787810
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772765
N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline
CID 115212391
5-chloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43775987
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
CID 43764075
5-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline (CID 43787845) is 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline is COc1c(Br)cc(CNc2cc(Br)ccc2C)cc1Br.
What is the InChIKey of 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline?
The InChIKey is YEDDRRRZVCYHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3NO/c1-9-3-4-11(16)7-14(9)19-8-10-5-12(17)15(20-2)13(18)6-10/h3-7,19H,8H2,1-2H3.
What are the key properties of 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline?
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline has a molecular weight of 464.00 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 43787845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).