2-benzyl-2,6,6-trimethylmorpholine

C14H21NO — CID 65126692

IUPAC2-benzyl-2,6,6-trimethylmorpholine
SMILESCC1(C)CNCC(C)(Cc2ccccc2)O1
InChIInChI=1S/C14H21NO/c1-13(2)10-15-11-14(3,16-13)9-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3
InChIKeyOMOQKBZXHFQVFS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.39
Rot. Bonds2

About 2-benzyl-2,6,6-trimethylmorpholine

2-benzyl-2,6,6-trimethylmorpholine (PubChem CID 65126692) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-benzyl-2,6,6-trimethylmorpholine.

Molecular Properties

Compound Name2-benzyl-2,6,6-trimethylmorpholine
PubChem CID65126692
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-benzyl-2,6,6-trimethylmorpholine
SMILESCC1(C)CNCC(C)(Cc2ccccc2)O1
InChIInChI=1S/C14H21NO/c1-13(2)10-15-11-14(3,16-13)9-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3
InChIKeyOMOQKBZXHFQVFS-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,6,6-trimethylmorpholine?
The IUPAC name of 2-benzyl-2,6,6-trimethylmorpholine (CID 65126692) is 2-benzyl-2,6,6-trimethylmorpholine.
What is the SMILES notation for 2-benzyl-2,6,6-trimethylmorpholine?
The canonical SMILES for 2-benzyl-2,6,6-trimethylmorpholine is CC1(C)CNCC(C)(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-2,6,6-trimethylmorpholine?
The InChIKey is OMOQKBZXHFQVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-13(2)10-15-11-14(3,16-13)9-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3.
What are the key properties of 2-benzyl-2,6,6-trimethylmorpholine?
2-benzyl-2,6,6-trimethylmorpholine has a molecular weight of 219.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,6,6-trimethylmorpholine is sourced from PubChem (CID 65126692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).