4-(3-phenylpropyl)morpholine

C13H19NO — CID 782728

IUPAC4-(3-phenylpropyl)morpholine
SMILESc1ccc(CCCN2CCOCC2)cc1
InChIInChI=1S/C13H19NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6H,4,7-12H2
InChIKeyLEIREMDVERZAKS-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.95
Rot. Bonds4

About 4-(3-phenylpropyl)morpholine

4-(3-phenylpropyl)morpholine (PubChem CID 782728) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(3-phenylpropyl)morpholine.

Molecular Properties

Compound Name4-(3-phenylpropyl)morpholine
PubChem CID782728
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(3-phenylpropyl)morpholine
SMILESc1ccc(CCCN2CCOCC2)cc1
InChIInChI=1S/C13H19NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6H,4,7-12H2
InChIKeyLEIREMDVERZAKS-UHFFFAOYSA-N
XLogP1.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropyl)morpholine?
The IUPAC name of 4-(3-phenylpropyl)morpholine (CID 782728) is 4-(3-phenylpropyl)morpholine.
What is the SMILES notation for 4-(3-phenylpropyl)morpholine?
The canonical SMILES for 4-(3-phenylpropyl)morpholine is c1ccc(CCCN2CCOCC2)cc1.
What is the InChIKey of 4-(3-phenylpropyl)morpholine?
The InChIKey is LEIREMDVERZAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6H,4,7-12H2.
What are the key properties of 4-(3-phenylpropyl)morpholine?
4-(3-phenylpropyl)morpholine has a molecular weight of 205.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropyl)morpholine is sourced from PubChem (CID 782728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).