4-[bis(prop-2-enyl)amino]-2,6-dibromophenol

C12H13Br2NO — CID 67684652

IUPAC4-[bis(prop-2-enyl)amino]-2,6-dibromophenol
SMILESC=CCN(CC=C)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H13Br2NO/c1-3-5-15(6-4-2)9-7-10(13)12(16)11(14)8-9/h3-4,7-8,16H,1-2,5-6H2
InChIKeyRVTSQNDOIXCNDF-UHFFFAOYSA-N
MW347.05 g/mol
LogP4.10
Rot. Bonds5

About 4-[bis(prop-2-enyl)amino]-2,6-dibromophenol

4-[bis(prop-2-enyl)amino]-2,6-dibromophenol (PubChem CID 67684652) has the molecular formula C12H13Br2NO and a molecular weight of 347.05 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]-2,6-dibromophenol.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]-2,6-dibromophenol
PubChem CID67684652
Molecular FormulaC12H13Br2NO
Molecular Weight347.05 g/mol
Exact Mass344.94
IUPAC Name4-[bis(prop-2-enyl)amino]-2,6-dibromophenol
SMILESC=CCN(CC=C)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H13Br2NO/c1-3-5-15(6-4-2)9-7-10(13)12(16)11(14)8-9/h3-4,7-8,16H,1-2,5-6H2
InChIKeyRVTSQNDOIXCNDF-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]-2,6-dibromophenol?
The IUPAC name of 4-[bis(prop-2-enyl)amino]-2,6-dibromophenol (CID 67684652) is 4-[bis(prop-2-enyl)amino]-2,6-dibromophenol.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]-2,6-dibromophenol?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]-2,6-dibromophenol is C=CCN(CC=C)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]-2,6-dibromophenol?
The InChIKey is RVTSQNDOIXCNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO/c1-3-5-15(6-4-2)9-7-10(13)12(16)11(14)8-9/h3-4,7-8,16H,1-2,5-6H2.
What are the key properties of 4-[bis(prop-2-enyl)amino]-2,6-dibromophenol?
4-[bis(prop-2-enyl)amino]-2,6-dibromophenol has a molecular weight of 347.05 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]-2,6-dibromophenol is sourced from PubChem (CID 67684652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).