4-(anilinomethyl)-2,6-dibromophenol

C13H11Br2NO — CID 113224525

IUPAC4-(anilinomethyl)-2,6-dibromophenol
SMILESOc1c(Br)cc(CNc2ccccc2)cc1Br
InChIInChI=1S/C13H11Br2NO/c14-11-6-9(7-12(15)13(11)17)8-16-10-4-2-1-3-5-10/h1-7,16-17H,8H2
InChIKeyMPVZRDGARNXJLZ-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.53
Rot. Bonds3

About 4-(anilinomethyl)-2,6-dibromophenol

4-(anilinomethyl)-2,6-dibromophenol (PubChem CID 113224525) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is 4-(anilinomethyl)-2,6-dibromophenol.

Molecular Properties

Compound Name4-(anilinomethyl)-2,6-dibromophenol
PubChem CID113224525
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name4-(anilinomethyl)-2,6-dibromophenol
SMILESOc1c(Br)cc(CNc2ccccc2)cc1Br
InChIInChI=1S/C13H11Br2NO/c14-11-6-9(7-12(15)13(11)17)8-16-10-4-2-1-3-5-10/h1-7,16-17H,8H2
InChIKeyMPVZRDGARNXJLZ-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)-2,6-dibromophenol?
The IUPAC name of 4-(anilinomethyl)-2,6-dibromophenol (CID 113224525) is 4-(anilinomethyl)-2,6-dibromophenol.
What is the SMILES notation for 4-(anilinomethyl)-2,6-dibromophenol?
The canonical SMILES for 4-(anilinomethyl)-2,6-dibromophenol is Oc1c(Br)cc(CNc2ccccc2)cc1Br.
What is the InChIKey of 4-(anilinomethyl)-2,6-dibromophenol?
The InChIKey is MPVZRDGARNXJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c14-11-6-9(7-12(15)13(11)17)8-16-10-4-2-1-3-5-10/h1-7,16-17H,8H2.
What are the key properties of 4-(anilinomethyl)-2,6-dibromophenol?
4-(anilinomethyl)-2,6-dibromophenol has a molecular weight of 357.05 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)-2,6-dibromophenol is sourced from PubChem (CID 113224525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).