2-(5-bromo-2-cyclopropyloxyphenyl)morpholine

C13H16BrNO2 — CID 117479953

IUPAC2-(5-bromo-2-cyclopropyloxyphenyl)morpholine
SMILESBrc1ccc(OC2CC2)c(C2CNCCO2)c1
InChIInChI=1S/C13H16BrNO2/c14-9-1-4-12(17-10-2-3-10)11(7-9)13-8-15-5-6-16-13/h1,4,7,10,13,15H,2-3,5-6,8H2
InChIKeyCQOLYMSPBDRHQD-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.65
Rot. Bonds3

About 2-(5-bromo-2-cyclopropyloxyphenyl)morpholine

2-(5-bromo-2-cyclopropyloxyphenyl)morpholine (PubChem CID 117479953) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(5-bromo-2-cyclopropyloxyphenyl)morpholine.

Molecular Properties

Compound Name2-(5-bromo-2-cyclopropyloxyphenyl)morpholine
PubChem CID117479953
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name2-(5-bromo-2-cyclopropyloxyphenyl)morpholine
SMILESBrc1ccc(OC2CC2)c(C2CNCCO2)c1
InChIInChI=1S/C13H16BrNO2/c14-9-1-4-12(17-10-2-3-10)11(7-9)13-8-15-5-6-16-13/h1,4,7,10,13,15H,2-3,5-6,8H2
InChIKeyCQOLYMSPBDRHQD-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-cyclopropyloxyphenyl)morpholine?
The IUPAC name of 2-(5-bromo-2-cyclopropyloxyphenyl)morpholine (CID 117479953) is 2-(5-bromo-2-cyclopropyloxyphenyl)morpholine.
What is the SMILES notation for 2-(5-bromo-2-cyclopropyloxyphenyl)morpholine?
The canonical SMILES for 2-(5-bromo-2-cyclopropyloxyphenyl)morpholine is Brc1ccc(OC2CC2)c(C2CNCCO2)c1.
What is the InChIKey of 2-(5-bromo-2-cyclopropyloxyphenyl)morpholine?
The InChIKey is CQOLYMSPBDRHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-9-1-4-12(17-10-2-3-10)11(7-9)13-8-15-5-6-16-13/h1,4,7,10,13,15H,2-3,5-6,8H2.
What are the key properties of 2-(5-bromo-2-cyclopropyloxyphenyl)morpholine?
2-(5-bromo-2-cyclopropyloxyphenyl)morpholine has a molecular weight of 298.18 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-cyclopropyloxyphenyl)morpholine is sourced from PubChem (CID 117479953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).