Viloxazine, (S)-

C13H19NO3 — CID 12226598

IUPAC(2S)-2-[(2-ethoxyphenoxy)methyl]morpholine
SMILESCCOC1=CC=CC=C1OC[C@@H]2CNCCO2
InChIInChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3/t11-/m0/s1
InChIKeyYWPHCCPCQOJSGZ-NSHDSACASA-N
MW237.29 g/mol
LogP1.50
Rot. Bonds5

About Viloxazine, (S)-

Viloxazine, (S)- (PubChem CID 12226598) has the molecular formula C13H19NO3 and a molecular weight of 237.29 g/mol. Its IUPAC name is (2S)-2-[(2-ethoxyphenoxy)methyl]morpholine.

Molecular Properties

Compound NameViloxazine, (S)-
PubChem CID12226598
Molecular FormulaC13H19NO3
Molecular Weight237.29 g/mol
Exact Mass237.14
IUPAC Name(2S)-2-[(2-ethoxyphenoxy)methyl]morpholine
SMILESCCOC1=CC=CC=C1OC[C@@H]2CNCCO2
InChIInChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3/t11-/m0/s1
InChIKeyYWPHCCPCQOJSGZ-NSHDSACASA-N
XLogP1.50
TPSA39.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity213

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Viloxazine, (S)-?
The IUPAC name of Viloxazine, (S)- (CID 12226598) is (2S)-2-[(2-ethoxyphenoxy)methyl]morpholine.
What is the SMILES notation for Viloxazine, (S)-?
The canonical SMILES for Viloxazine, (S)- is CCOC1=CC=CC=C1OC[C@@H]2CNCCO2.
What is the InChIKey of Viloxazine, (S)-?
The InChIKey is YWPHCCPCQOJSGZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3/t11-/m0/s1.
What are the key properties of Viloxazine, (S)-?
Viloxazine, (S)- has a molecular weight of 237.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Viloxazine, (S)- is sourced from PubChem (CID 12226598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).