2-[benzyl(methyl)amino]-4,6-dibromophenol

C14H13Br2NO — CID 52933281

IUPAC2-[benzyl(methyl)amino]-4,6-dibromophenol
SMILESCN(Cc1ccccc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H13Br2NO/c1-17(9-10-5-3-2-4-6-10)13-8-11(15)7-12(16)14(13)18/h2-8,18H,9H2,1H3
InChIKeyCPSWTXDWEMCKKR-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.55
Rot. Bonds3

About 2-[benzyl(methyl)amino]-4,6-dibromophenol

2-[benzyl(methyl)amino]-4,6-dibromophenol (PubChem CID 52933281) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-4,6-dibromophenol
PubChem CID52933281
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-[benzyl(methyl)amino]-4,6-dibromophenol
SMILESCN(Cc1ccccc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H13Br2NO/c1-17(9-10-5-3-2-4-6-10)13-8-11(15)7-12(16)14(13)18/h2-8,18H,9H2,1H3
InChIKeyCPSWTXDWEMCKKR-UHFFFAOYSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-4,6-dibromophenol?
The IUPAC name of 2-[benzyl(methyl)amino]-4,6-dibromophenol (CID 52933281) is 2-[benzyl(methyl)amino]-4,6-dibromophenol.
What is the SMILES notation for 2-[benzyl(methyl)amino]-4,6-dibromophenol?
The canonical SMILES for 2-[benzyl(methyl)amino]-4,6-dibromophenol is CN(Cc1ccccc1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-[benzyl(methyl)amino]-4,6-dibromophenol?
The InChIKey is CPSWTXDWEMCKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-17(9-10-5-3-2-4-6-10)13-8-11(15)7-12(16)14(13)18/h2-8,18H,9H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-4,6-dibromophenol?
2-[benzyl(methyl)amino]-4,6-dibromophenol has a molecular weight of 371.07 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-4,6-dibromophenol is sourced from PubChem (CID 52933281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).