2-(2-phenylethyl)morpholine

C12H17NO — CID 19964397

IUPAC2-(2-phenylethyl)morpholine
SMILESc1ccc(CCC2CNCCO2)cc1
InChIInChI=1S/C12H17NO/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-5,12-13H,6-10H2
InChIKeyTXIWKJLQPACJEW-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.61
Rot. Bonds3

About 2-(2-phenylethyl)morpholine

2-(2-phenylethyl)morpholine (PubChem CID 19964397) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name2-(2-phenylethyl)morpholine
PubChem CID19964397
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2-phenylethyl)morpholine
SMILESc1ccc(CCC2CNCCO2)cc1
InChIInChI=1S/C12H17NO/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-5,12-13H,6-10H2
InChIKeyTXIWKJLQPACJEW-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)morpholine?
The IUPAC name of 2-(2-phenylethyl)morpholine (CID 19964397) is 2-(2-phenylethyl)morpholine.
What is the SMILES notation for 2-(2-phenylethyl)morpholine?
The canonical SMILES for 2-(2-phenylethyl)morpholine is c1ccc(CCC2CNCCO2)cc1.
What is the InChIKey of 2-(2-phenylethyl)morpholine?
The InChIKey is TXIWKJLQPACJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-5,12-13H,6-10H2.
What are the key properties of 2-(2-phenylethyl)morpholine?
2-(2-phenylethyl)morpholine has a molecular weight of 191.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)morpholine is sourced from PubChem (CID 19964397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).