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

C15H14Br3NO2 — CID 63456231

IUPAC5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1cc(Br)cc(Br)c1OC
InChIInChI=1S/C15H14Br3NO2/c1-20-14-4-3-10(16)7-13(14)19-8-9-5-11(17)6-12(18)15(9)21-2/h3-7,19H,8H2,1-2H3
InChIKeyUNTZFVBFKMKBNO-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.60
Rot. Bonds5

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

5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline (PubChem CID 63456231) has the molecular formula C15H14Br3NO2 and a molecular weight of 479.99 g/mol. Its IUPAC name is 5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
PubChem CID63456231
Molecular FormulaC15H14Br3NO2
Molecular Weight479.99 g/mol
Exact Mass476.86
IUPAC Name5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1cc(Br)cc(Br)c1OC
InChIInChI=1S/C15H14Br3NO2/c1-20-14-4-3-10(16)7-13(14)19-8-9-5-11(17)6-12(18)15(9)21-2/h3-7,19H,8H2,1-2H3
InChIKeyUNTZFVBFKMKBNO-UHFFFAOYSA-N
XLogP5.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-4-methoxybenzoic acid
CID 17059836
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43775873
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 43763039
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline
CID 43772623
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
CID 43764075
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline
CID 63454126
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-2-methylaniline
CID 63454694
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline?
The IUPAC name of 5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline (CID 63456231) is 5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline is COc1ccc(Br)cc1NCc1cc(Br)cc(Br)c1OC.
What is the InChIKey of 5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline?
The InChIKey is UNTZFVBFKMKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3NO2/c1-20-14-4-3-10(16)7-13(14)19-8-9-5-11(17)6-12(18)15(9)21-2/h3-7,19H,8H2,1-2H3.
What are the key properties of 5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline?
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline has a molecular weight of 479.99 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 63456231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).