5-(4-bromophenyl)-3,3-dimethylmorpholine

C12H16BrNO — CID 82305856

IUPAC5-(4-bromophenyl)-3,3-dimethylmorpholine
SMILESCC1(C)COCC(c2ccc(Br)cc2)N1
InChIInChI=1S/C12H16BrNO/c1-12(2)8-15-7-11(14-12)9-3-5-10(13)6-4-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeyQWWVLOZSEOGQEH-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.89
Rot. Bonds1

About 5-(4-bromophenyl)-3,3-dimethylmorpholine

5-(4-bromophenyl)-3,3-dimethylmorpholine (PubChem CID 82305856) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3,3-dimethylmorpholine.

Molecular Properties

Compound Name5-(4-bromophenyl)-3,3-dimethylmorpholine
PubChem CID82305856
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name5-(4-bromophenyl)-3,3-dimethylmorpholine
SMILESCC1(C)COCC(c2ccc(Br)cc2)N1
InChIInChI=1S/C12H16BrNO/c1-12(2)8-15-7-11(14-12)9-3-5-10(13)6-4-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeyQWWVLOZSEOGQEH-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3,3-dimethylmorpholine?
The IUPAC name of 5-(4-bromophenyl)-3,3-dimethylmorpholine (CID 82305856) is 5-(4-bromophenyl)-3,3-dimethylmorpholine.
What is the SMILES notation for 5-(4-bromophenyl)-3,3-dimethylmorpholine?
The canonical SMILES for 5-(4-bromophenyl)-3,3-dimethylmorpholine is CC1(C)COCC(c2ccc(Br)cc2)N1.
What is the InChIKey of 5-(4-bromophenyl)-3,3-dimethylmorpholine?
The InChIKey is QWWVLOZSEOGQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2)8-15-7-11(14-12)9-3-5-10(13)6-4-9/h3-6,11,14H,7-8H2,1-2H3.
What are the key properties of 5-(4-bromophenyl)-3,3-dimethylmorpholine?
5-(4-bromophenyl)-3,3-dimethylmorpholine has a molecular weight of 270.17 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3,3-dimethylmorpholine is sourced from PubChem (CID 82305856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).