2-(4-bromophenyl)-4-methylmorpholine

C11H14BrNO — CID 12761207

IUPAC2-(4-bromophenyl)-4-methylmorpholine
SMILESCN1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H14BrNO/c1-13-6-7-14-11(8-13)9-2-4-10(12)5-3-9/h2-5,11H,6-8H2,1H3
InChIKeyJXMXBBJTBHSOJT-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.45
Rot. Bonds1

About 2-(4-bromophenyl)-4-methylmorpholine

2-(4-bromophenyl)-4-methylmorpholine (PubChem CID 12761207) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-methylmorpholine
PubChem CID12761207
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(4-bromophenyl)-4-methylmorpholine
SMILESCN1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H14BrNO/c1-13-6-7-14-11(8-13)9-2-4-10(12)5-3-9/h2-5,11H,6-8H2,1H3
InChIKeyJXMXBBJTBHSOJT-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-methylmorpholine?
The IUPAC name of 2-(4-bromophenyl)-4-methylmorpholine (CID 12761207) is 2-(4-bromophenyl)-4-methylmorpholine.
What is the SMILES notation for 2-(4-bromophenyl)-4-methylmorpholine?
The canonical SMILES for 2-(4-bromophenyl)-4-methylmorpholine is CN1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-4-methylmorpholine?
The InChIKey is JXMXBBJTBHSOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-13-6-7-14-11(8-13)9-2-4-10(12)5-3-9/h2-5,11H,6-8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-4-methylmorpholine?
2-(4-bromophenyl)-4-methylmorpholine has a molecular weight of 256.14 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-methylmorpholine is sourced from PubChem (CID 12761207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).