2-methyl-2-phenylmorpholine

C11H15NO — CID 3066037

IUPAC2-methyl-2-phenylmorpholine
SMILESCC1(c2ccccc2)CNCCO1
InChIInChI=1S/C11H15NO/c1-11(9-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyNCMLYFQBONKWAE-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.52
Rot. Bonds1

About 2-methyl-2-phenylmorpholine

2-methyl-2-phenylmorpholine (PubChem CID 3066037) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name2-methyl-2-phenylmorpholine
PubChem CID3066037
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-methyl-2-phenylmorpholine
SMILESCC1(c2ccccc2)CNCCO1
InChIInChI=1S/C11H15NO/c1-11(9-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyNCMLYFQBONKWAE-UHFFFAOYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylmorpholine?
The IUPAC name of 2-methyl-2-phenylmorpholine (CID 3066037) is 2-methyl-2-phenylmorpholine.
What is the SMILES notation for 2-methyl-2-phenylmorpholine?
The canonical SMILES for 2-methyl-2-phenylmorpholine is CC1(c2ccccc2)CNCCO1.
What is the InChIKey of 2-methyl-2-phenylmorpholine?
The InChIKey is NCMLYFQBONKWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(9-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3.
What are the key properties of 2-methyl-2-phenylmorpholine?
2-methyl-2-phenylmorpholine has a molecular weight of 177.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylmorpholine is sourced from PubChem (CID 3066037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).