4-(1-phenylpropyl)morpholine

C13H19NO — CID 3057368

IUPAC4-(1-phenylpropyl)morpholine
SMILESCCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H19NO/c1-2-13(12-6-4-3-5-7-12)14-8-10-15-11-9-14/h3-7,13H,2,8-11H2,1H3
InChIKeyLSTVSNRAJKBTNW-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.47
Rot. Bonds3

About 4-(1-phenylpropyl)morpholine

4-(1-phenylpropyl)morpholine (PubChem CID 3057368) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(1-phenylpropyl)morpholine.

Molecular Properties

Compound Name4-(1-phenylpropyl)morpholine
PubChem CID3057368
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(1-phenylpropyl)morpholine
SMILESCCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H19NO/c1-2-13(12-6-4-3-5-7-12)14-8-10-15-11-9-14/h3-7,13H,2,8-11H2,1H3
InChIKeyLSTVSNRAJKBTNW-UHFFFAOYSA-N
XLogP2.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpropyl)morpholine?
The IUPAC name of 4-(1-phenylpropyl)morpholine (CID 3057368) is 4-(1-phenylpropyl)morpholine.
What is the SMILES notation for 4-(1-phenylpropyl)morpholine?
The canonical SMILES for 4-(1-phenylpropyl)morpholine is CCC(c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-(1-phenylpropyl)morpholine?
The InChIKey is LSTVSNRAJKBTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-13(12-6-4-3-5-7-12)14-8-10-15-11-9-14/h3-7,13H,2,8-11H2,1H3.
What are the key properties of 4-(1-phenylpropyl)morpholine?
4-(1-phenylpropyl)morpholine has a molecular weight of 205.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpropyl)morpholine is sourced from PubChem (CID 3057368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).