2-ethyl-2-phenylmorpholine

C12H17NO — CID 21410904

IUPAC2-ethyl-2-phenylmorpholine
SMILESCCC1(c2ccccc2)CNCCO1
InChIInChI=1S/C12H17NO/c1-2-12(10-13-8-9-14-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyGMNXYPBGRXAYHZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.91
Rot. Bonds2

About 2-ethyl-2-phenylmorpholine

2-ethyl-2-phenylmorpholine (PubChem CID 21410904) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-ethyl-2-phenylmorpholine.

Molecular Properties

Compound Name2-ethyl-2-phenylmorpholine
PubChem CID21410904
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-ethyl-2-phenylmorpholine
SMILESCCC1(c2ccccc2)CNCCO1
InChIInChI=1S/C12H17NO/c1-2-12(10-13-8-9-14-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyGMNXYPBGRXAYHZ-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-phenylmorpholine?
The IUPAC name of 2-ethyl-2-phenylmorpholine (CID 21410904) is 2-ethyl-2-phenylmorpholine.
What is the SMILES notation for 2-ethyl-2-phenylmorpholine?
The canonical SMILES for 2-ethyl-2-phenylmorpholine is CCC1(c2ccccc2)CNCCO1.
What is the InChIKey of 2-ethyl-2-phenylmorpholine?
The InChIKey is GMNXYPBGRXAYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-12(10-13-8-9-14-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3.
What are the key properties of 2-ethyl-2-phenylmorpholine?
2-ethyl-2-phenylmorpholine has a molecular weight of 191.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenylmorpholine is sourced from PubChem (CID 21410904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).