1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol

C16H23BrN2O2 — CID 82958133

IUPAC1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H23BrN2O2/c1-12(20)15-10-13(17)2-3-16(15)19-5-4-14(11-19)18-6-8-21-9-7-18/h2-3,10,12,14,20H,4-9,11H2,1H3
InChIKeyCNHZUVGJFLBUJN-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.41
Rot. Bonds3

About 1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol

1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 82958133) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID82958133
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H23BrN2O2/c1-12(20)15-10-13(17)2-3-16(15)19-5-4-14(11-19)18-6-8-21-9-7-18/h2-3,10,12,14,20H,4-9,11H2,1H3
InChIKeyCNHZUVGJFLBUJN-UHFFFAOYSA-N
XLogP2.41
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol (CID 82958133) is 1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol is CC(O)c1cc(Br)ccc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of 1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is CNHZUVGJFLBUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-12(20)15-10-13(17)2-3-16(15)19-5-4-14(11-19)18-6-8-21-9-7-18/h2-3,10,12,14,20H,4-9,11H2,1H3.
What are the key properties of 1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol?
1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 355.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 82958133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).