3,6-dimethyl-2-phenylmorpholine

C12H17NO — CID 43174741

IUPAC3,6-dimethyl-2-phenylmorpholine
SMILESCC1CNC(C)C(c2ccccc2)O1
InChIInChI=1S/C12H17NO/c1-9-8-13-10(2)12(14-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
InChIKeyFZEIVUHEODGHML-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.12
Rot. Bonds1

About 3,6-dimethyl-2-phenylmorpholine

3,6-dimethyl-2-phenylmorpholine (PubChem CID 43174741) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3,6-dimethyl-2-phenylmorpholine.

Molecular Properties

Compound Name3,6-dimethyl-2-phenylmorpholine
PubChem CID43174741
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3,6-dimethyl-2-phenylmorpholine
SMILESCC1CNC(C)C(c2ccccc2)O1
InChIInChI=1S/C12H17NO/c1-9-8-13-10(2)12(14-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
InChIKeyFZEIVUHEODGHML-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-phenylmorpholine?
The IUPAC name of 3,6-dimethyl-2-phenylmorpholine (CID 43174741) is 3,6-dimethyl-2-phenylmorpholine.
What is the SMILES notation for 3,6-dimethyl-2-phenylmorpholine?
The canonical SMILES for 3,6-dimethyl-2-phenylmorpholine is CC1CNC(C)C(c2ccccc2)O1.
What is the InChIKey of 3,6-dimethyl-2-phenylmorpholine?
The InChIKey is FZEIVUHEODGHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-8-13-10(2)12(14-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3.
What are the key properties of 3,6-dimethyl-2-phenylmorpholine?
3,6-dimethyl-2-phenylmorpholine has a molecular weight of 191.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-phenylmorpholine is sourced from PubChem (CID 43174741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).