(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine

C11H14BrNO — CID 95464743

IUPAC(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine
SMILESC[C@@H]1CN[C@@H](c2ccc(Br)cc2)CO1
InChIInChI=1S/C11H14BrNO/c1-8-6-13-11(7-14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyWRLBQXLKBPIFQZ-LDYMZIIASA-N
MW256.14 g/mol
LogP2.50
Rot. Bonds1

About (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine

(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine (PubChem CID 95464743) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine.

Molecular Properties

Compound Name(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine
PubChem CID95464743
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine
SMILESC[C@@H]1CN[C@@H](c2ccc(Br)cc2)CO1
InChIInChI=1S/C11H14BrNO/c1-8-6-13-11(7-14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyWRLBQXLKBPIFQZ-LDYMZIIASA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine?
The IUPAC name of (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine (CID 95464743) is (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine.
What is the SMILES notation for (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine?
The canonical SMILES for (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine is C[C@@H]1CN[C@@H](c2ccc(Br)cc2)CO1.
What is the InChIKey of (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine?
The InChIKey is WRLBQXLKBPIFQZ-LDYMZIIASA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-6-13-11(7-14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1.
What are the key properties of (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine?
(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine has a molecular weight of 256.14 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine is sourced from PubChem (CID 95464743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).