3,3-dimethyl-5-(phenoxymethyl)morpholine

C13H19NO2 — CID 82286534

IUPAC3,3-dimethyl-5-(phenoxymethyl)morpholine
SMILESCC1(C)COCC(COc2ccccc2)N1
InChIInChI=1S/C13H19NO2/c1-13(2)10-15-8-11(14-13)9-16-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3
InChIKeyBJZDKDIBXNVKNH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds3

About 3,3-dimethyl-5-(phenoxymethyl)morpholine

3,3-dimethyl-5-(phenoxymethyl)morpholine (PubChem CID 82286534) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3,3-dimethyl-5-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-5-(phenoxymethyl)morpholine
PubChem CID82286534
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3,3-dimethyl-5-(phenoxymethyl)morpholine
SMILESCC1(C)COCC(COc2ccccc2)N1
InChIInChI=1S/C13H19NO2/c1-13(2)10-15-8-11(14-13)9-16-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3
InChIKeyBJZDKDIBXNVKNH-UHFFFAOYSA-N
XLogP1.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(phenoxymethyl)morpholine?
The IUPAC name of 3,3-dimethyl-5-(phenoxymethyl)morpholine (CID 82286534) is 3,3-dimethyl-5-(phenoxymethyl)morpholine.
What is the SMILES notation for 3,3-dimethyl-5-(phenoxymethyl)morpholine?
The canonical SMILES for 3,3-dimethyl-5-(phenoxymethyl)morpholine is CC1(C)COCC(COc2ccccc2)N1.
What is the InChIKey of 3,3-dimethyl-5-(phenoxymethyl)morpholine?
The InChIKey is BJZDKDIBXNVKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2)10-15-8-11(14-13)9-16-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-(phenoxymethyl)morpholine?
3,3-dimethyl-5-(phenoxymethyl)morpholine has a molecular weight of 221.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(phenoxymethyl)morpholine is sourced from PubChem (CID 82286534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).