2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol

C14H12Br3NO2 — CID 107740862

IUPAC2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
SMILESCOc1ccc(Br)c(NCc2cc(Br)c(O)c(Br)c2)c1
InChIInChI=1S/C14H12Br3NO2/c1-20-9-2-3-10(15)13(6-9)18-7-8-4-11(16)14(19)12(17)5-8/h2-6,18-19H,7H2,1H3
InChIKeyGUOVCXMTVNVJDW-UHFFFAOYSA-N
MW465.97 g/mol
LogP5.30
Rot. Bonds4

About 2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol

2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol (PubChem CID 107740862) has the molecular formula C14H12Br3NO2 and a molecular weight of 465.97 g/mol. Its IUPAC name is 2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
PubChem CID107740862
Molecular FormulaC14H12Br3NO2
Molecular Weight465.97 g/mol
Exact Mass462.84
IUPAC Name2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
SMILESCOc1ccc(Br)c(NCc2cc(Br)c(O)c(Br)c2)c1
InChIInChI=1S/C14H12Br3NO2/c1-20-9-2-3-10(15)13(6-9)18-7-8-4-11(16)14(19)12(17)5-8/h2-6,18-19H,7H2,1H3
InChIKeyGUOVCXMTVNVJDW-UHFFFAOYSA-N
XLogP5.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.97
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
CID 105403175
2,6-dibromo-4-[(2-bromo-5-methylanilino)methyl]phenol
CID 107741003
2-bromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 79984094
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline
CID 115524054
2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79151320
2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide
CID 77069981
4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol
CID 28932279
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742
4-[(2-bromo-5-methoxyanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103252633
3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
CID 115872019
2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501353
2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115877164

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol (CID 107740862) is 2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol is COc1ccc(Br)c(NCc2cc(Br)c(O)c(Br)c2)c1.
What is the InChIKey of 2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol?
The InChIKey is GUOVCXMTVNVJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3NO2/c1-20-9-2-3-10(15)13(6-9)18-7-8-4-11(16)14(19)12(17)5-8/h2-6,18-19H,7H2,1H3.
What are the key properties of 2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol?
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol has a molecular weight of 465.97 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol is sourced from PubChem (CID 107740862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).