(2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine

C13H18BrNO — CID 15233125

IUPAC(2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2ccc(Br)cc2)C[C@H](C)O1
InChIInChI=1S/C13H18BrNO/c1-10-7-15(8-11(2)16-10)9-12-3-5-13(14)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11+
InChIKeyDXFLVWNNYJNMTO-PHIMTYICSA-N
MW284.20 g/mol
LogP3.06
Rot. Bonds2

About (2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine

(2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine (PubChem CID 15233125) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine
PubChem CID15233125
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2ccc(Br)cc2)C[C@H](C)O1
InChIInChI=1S/C13H18BrNO/c1-10-7-15(8-11(2)16-10)9-12-3-5-13(14)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11+
InChIKeyDXFLVWNNYJNMTO-PHIMTYICSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine (CID 15233125) is (2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(Cc2ccc(Br)cc2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine?
The InChIKey is DXFLVWNNYJNMTO-PHIMTYICSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-7-15(8-11(2)16-10)9-12-3-5-13(14)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11+.
What are the key properties of (2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine has a molecular weight of 284.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 15233125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).