2,2-dimethyl-4-phenylmorpholine

C12H17NO — CID 15576765

IUPAC2,2-dimethyl-4-phenylmorpholine
SMILESCC1(C)CN(c2ccccc2)CCO1
InChIInChI=1S/C12H17NO/c1-12(2)10-13(8-9-14-12)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyYVTQEVCWPYTARS-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds1

About 2,2-dimethyl-4-phenylmorpholine

2,2-dimethyl-4-phenylmorpholine (PubChem CID 15576765) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenylmorpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-phenylmorpholine
PubChem CID15576765
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2,2-dimethyl-4-phenylmorpholine
SMILESCC1(C)CN(c2ccccc2)CCO1
InChIInChI=1S/C12H17NO/c1-12(2)10-13(8-9-14-12)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyYVTQEVCWPYTARS-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenylmorpholine?
The IUPAC name of 2,2-dimethyl-4-phenylmorpholine (CID 15576765) is 2,2-dimethyl-4-phenylmorpholine.
What is the SMILES notation for 2,2-dimethyl-4-phenylmorpholine?
The canonical SMILES for 2,2-dimethyl-4-phenylmorpholine is CC1(C)CN(c2ccccc2)CCO1.
What is the InChIKey of 2,2-dimethyl-4-phenylmorpholine?
The InChIKey is YVTQEVCWPYTARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2)10-13(8-9-14-12)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-phenylmorpholine?
2,2-dimethyl-4-phenylmorpholine has a molecular weight of 191.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenylmorpholine is sourced from PubChem (CID 15576765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).