4-(1-phenylethyl)morpholine

C12H17NO — CID 600557

IUPAC4-(1-phenylethyl)morpholine
SMILESCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H17NO/c1-11(12-5-3-2-4-6-12)13-7-9-14-10-8-13/h2-6,11H,7-10H2,1H3
InChIKeySKPBVBDYKFUVCG-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.08
Rot. Bonds2

About 4-(1-phenylethyl)morpholine

4-(1-phenylethyl)morpholine (PubChem CID 600557) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(1-phenylethyl)morpholine.

Molecular Properties

Compound Name4-(1-phenylethyl)morpholine
PubChem CID600557
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(1-phenylethyl)morpholine
SMILESCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H17NO/c1-11(12-5-3-2-4-6-12)13-7-9-14-10-8-13/h2-6,11H,7-10H2,1H3
InChIKeySKPBVBDYKFUVCG-UHFFFAOYSA-N
XLogP2.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)morpholine?
The IUPAC name of 4-(1-phenylethyl)morpholine (CID 600557) is 4-(1-phenylethyl)morpholine.
What is the SMILES notation for 4-(1-phenylethyl)morpholine?
The canonical SMILES for 4-(1-phenylethyl)morpholine is CC(c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-(1-phenylethyl)morpholine?
The InChIKey is SKPBVBDYKFUVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-11(12-5-3-2-4-6-12)13-7-9-14-10-8-13/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-(1-phenylethyl)morpholine?
4-(1-phenylethyl)morpholine has a molecular weight of 191.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)morpholine is sourced from PubChem (CID 600557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).