(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine

C12H16BrNO — CID 92968507

IUPAC(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine
SMILESCN1CCO[C@@](C)(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO/c1-12(9-14(2)7-8-15-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyOYQNGONOBUSPLZ-GFCCVEGCSA-N
MW270.17 g/mol
LogP2.63
Rot. Bonds1

About (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine

(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine (PubChem CID 92968507) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine
PubChem CID92968507
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine
SMILESCN1CCO[C@@](C)(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO/c1-12(9-14(2)7-8-15-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyOYQNGONOBUSPLZ-GFCCVEGCSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine?
The IUPAC name of (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine (CID 92968507) is (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine?
The canonical SMILES for (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine is CN1CCO[C@@](C)(c2ccc(Br)cc2)C1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine?
The InChIKey is OYQNGONOBUSPLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(9-14(2)7-8-15-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine?
(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine has a molecular weight of 270.17 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine is sourced from PubChem (CID 92968507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).