2-(4-bromo-2-chlorophenyl)-6-methylmorpholine

C11H13BrClNO — CID 82779010

IUPAC2-(4-bromo-2-chlorophenyl)-6-methylmorpholine
SMILESCC1CNCC(c2ccc(Br)cc2Cl)O1
InChIInChI=1S/C11H13BrClNO/c1-7-5-14-6-11(15-7)9-3-2-8(12)4-10(9)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyJUDDKBYUUOROJB-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.15
Rot. Bonds1

About 2-(4-bromo-2-chlorophenyl)-6-methylmorpholine

2-(4-bromo-2-chlorophenyl)-6-methylmorpholine (PubChem CID 82779010) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-6-methylmorpholine
PubChem CID82779010
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name2-(4-bromo-2-chlorophenyl)-6-methylmorpholine
SMILESCC1CNCC(c2ccc(Br)cc2Cl)O1
InChIInChI=1S/C11H13BrClNO/c1-7-5-14-6-11(15-7)9-3-2-8(12)4-10(9)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyJUDDKBYUUOROJB-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-6-methylmorpholine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-6-methylmorpholine (CID 82779010) is 2-(4-bromo-2-chlorophenyl)-6-methylmorpholine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-6-methylmorpholine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-6-methylmorpholine is CC1CNCC(c2ccc(Br)cc2Cl)O1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-6-methylmorpholine?
The InChIKey is JUDDKBYUUOROJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-7-5-14-6-11(15-7)9-3-2-8(12)4-10(9)13/h2-4,7,11,14H,5-6H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-6-methylmorpholine?
2-(4-bromo-2-chlorophenyl)-6-methylmorpholine has a molecular weight of 290.59 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-6-methylmorpholine is sourced from PubChem (CID 82779010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).