1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol

C13H18BrNO2 — CID 116685463

IUPAC1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol
SMILESCC1COCC(CC(O)c2cccc(Br)c2)N1
InChIInChI=1S/C13H18BrNO2/c1-9-7-17-8-12(15-9)6-13(16)10-3-2-4-11(14)5-10/h2-5,9,12-13,15-16H,6-8H2,1H3
InChIKeyQNTLWIWTPRXMFE-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.25
Rot. Bonds3

About 1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol

1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol (PubChem CID 116685463) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol
PubChem CID116685463
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol
SMILESCC1COCC(CC(O)c2cccc(Br)c2)N1
InChIInChI=1S/C13H18BrNO2/c1-9-7-17-8-12(15-9)6-13(16)10-3-2-4-11(14)5-10/h2-5,9,12-13,15-16H,6-8H2,1H3
InChIKeyQNTLWIWTPRXMFE-UHFFFAOYSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol (CID 116685463) is 1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol is CC1COCC(CC(O)c2cccc(Br)c2)N1.
What is the InChIKey of 1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol?
The InChIKey is QNTLWIWTPRXMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9-7-17-8-12(15-9)6-13(16)10-3-2-4-11(14)5-10/h2-5,9,12-13,15-16H,6-8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol?
1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol has a molecular weight of 300.20 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol is sourced from PubChem (CID 116685463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).