3-phenylmorpholine

C10H13NO — CID 3613837

IUPAC3-phenylmorpholine
SMILESc1ccc(C2COCCN2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-5,10-11H,6-8H2
InChIKeyMHZXKVPCJBPNKI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.35
Rot. Bonds1

About 3-phenylmorpholine

3-phenylmorpholine (PubChem CID 3613837) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-phenylmorpholine.

Molecular Properties

Compound Name3-phenylmorpholine
PubChem CID3613837
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-phenylmorpholine
SMILESc1ccc(C2COCCN2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-5,10-11H,6-8H2
InChIKeyMHZXKVPCJBPNKI-UHFFFAOYSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmorpholine?
The IUPAC name of 3-phenylmorpholine (CID 3613837) is 3-phenylmorpholine.
What is the SMILES notation for 3-phenylmorpholine?
The canonical SMILES for 3-phenylmorpholine is c1ccc(C2COCCN2)cc1.
What is the InChIKey of 3-phenylmorpholine?
The InChIKey is MHZXKVPCJBPNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-5,10-11H,6-8H2.
What are the key properties of 3-phenylmorpholine?
3-phenylmorpholine has a molecular weight of 163.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmorpholine is sourced from PubChem (CID 3613837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).