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

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Related Compounds

2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
CID 82979175
4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine
CID 63170781
2-bromo-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980206
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 63169493
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 63170170
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 63170748
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-bromo-6-methoxyphenol
CID 82983196
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-2-bromo-6-methoxyphenol
CID 82964358
4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine
CID 63534593
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882045
1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170584
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63170483

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).