2-[(2-bromophenoxy)methyl]-6-methylmorpholine

C12H16BrNO2 — CID 82307606

IUPAC2-[(2-bromophenoxy)methyl]-6-methylmorpholine
SMILESCC1CNCC(COc2ccccc2Br)O1
InChIInChI=1S/C12H16BrNO2/c1-9-6-14-7-10(16-9)8-15-12-5-3-2-4-11(12)13/h2-5,9-10,14H,6-8H2,1H3
InChIKeyNVTYGLDDELKALL-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.20
Rot. Bonds3

About 2-[(2-bromophenoxy)methyl]-6-methylmorpholine

2-[(2-bromophenoxy)methyl]-6-methylmorpholine (PubChem CID 82307606) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[(2-bromophenoxy)methyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-[(2-bromophenoxy)methyl]-6-methylmorpholine
PubChem CID82307606
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-[(2-bromophenoxy)methyl]-6-methylmorpholine
SMILESCC1CNCC(COc2ccccc2Br)O1
InChIInChI=1S/C12H16BrNO2/c1-9-6-14-7-10(16-9)8-15-12-5-3-2-4-11(12)13/h2-5,9-10,14H,6-8H2,1H3
InChIKeyNVTYGLDDELKALL-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenoxy)methyl]-6-methylmorpholine?
The IUPAC name of 2-[(2-bromophenoxy)methyl]-6-methylmorpholine (CID 82307606) is 2-[(2-bromophenoxy)methyl]-6-methylmorpholine.
What is the SMILES notation for 2-[(2-bromophenoxy)methyl]-6-methylmorpholine?
The canonical SMILES for 2-[(2-bromophenoxy)methyl]-6-methylmorpholine is CC1CNCC(COc2ccccc2Br)O1.
What is the InChIKey of 2-[(2-bromophenoxy)methyl]-6-methylmorpholine?
The InChIKey is NVTYGLDDELKALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9-6-14-7-10(16-9)8-15-12-5-3-2-4-11(12)13/h2-5,9-10,14H,6-8H2,1H3.
What are the key properties of 2-[(2-bromophenoxy)methyl]-6-methylmorpholine?
2-[(2-bromophenoxy)methyl]-6-methylmorpholine has a molecular weight of 286.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenoxy)methyl]-6-methylmorpholine is sourced from PubChem (CID 82307606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).