2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol

C15H20Br2N2O2 — CID 107740337

IUPAC2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
SMILESOc1c(Br)cc(CN2CCC(N3CCOCC3)C2)cc1Br
InChIInChI=1S/C15H20Br2N2O2/c16-13-7-11(8-14(17)15(13)20)9-18-2-1-12(10-18)19-3-5-21-6-4-19/h7-8,12,20H,1-6,9-10H2
InChIKeyFRZWSDIQNDWXQU-UHFFFAOYSA-N
MW420.15 g/mol
LogP2.82
Rot. Bonds3

About 2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol

2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol (PubChem CID 107740337) has the molecular formula C15H20Br2N2O2 and a molecular weight of 420.15 g/mol. Its IUPAC name is 2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
PubChem CID107740337
Molecular FormulaC15H20Br2N2O2
Molecular Weight420.15 g/mol
Exact Mass417.99
IUPAC Name2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
SMILESOc1c(Br)cc(CN2CCC(N3CCOCC3)C2)cc1Br
InChIInChI=1S/C15H20Br2N2O2/c16-13-7-11(8-14(17)15(13)20)9-18-2-1-12(10-18)19-3-5-21-6-4-19/h7-8,12,20H,1-6,9-10H2
InChIKeyFRZWSDIQNDWXQU-UHFFFAOYSA-N
XLogP2.82
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.15
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol (CID 107740337) is 2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol is Oc1c(Br)cc(CN2CCC(N3CCOCC3)C2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is FRZWSDIQNDWXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O2/c16-13-7-11(8-14(17)15(13)20)9-18-2-1-12(10-18)19-3-5-21-6-4-19/h7-8,12,20H,1-6,9-10H2.
What are the key properties of 2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol?
2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 420.15 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 107740337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).