(2S)-2-[phenoxy(phenyl)methyl]morpholine

C17H19NO2 — CID 68539153

IUPAC(2S)-2-[phenoxy(phenyl)methyl]morpholine
SMILESc1ccc(OC(c2ccccc2)[C@@H]2CNCCO2)cc1
InChIInChI=1S/C17H19NO2/c1-3-7-14(8-4-1)17(16-13-18-11-12-19-16)20-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/t16-,17?/m0/s1
InChIKeyZZOKZBZOODPZFP-BHWOMJMDSA-N
MW269.34 g/mol
LogP2.80
Rot. Bonds4

About (2S)-2-[phenoxy(phenyl)methyl]morpholine

(2S)-2-[phenoxy(phenyl)methyl]morpholine (PubChem CID 68539153) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S)-2-[phenoxy(phenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[phenoxy(phenyl)methyl]morpholine
PubChem CID68539153
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2S)-2-[phenoxy(phenyl)methyl]morpholine
SMILESc1ccc(OC(c2ccccc2)[C@@H]2CNCCO2)cc1
InChIInChI=1S/C17H19NO2/c1-3-7-14(8-4-1)17(16-13-18-11-12-19-16)20-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/t16-,17?/m0/s1
InChIKeyZZOKZBZOODPZFP-BHWOMJMDSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[phenoxy(phenyl)methyl]morpholine?
The IUPAC name of (2S)-2-[phenoxy(phenyl)methyl]morpholine (CID 68539153) is (2S)-2-[phenoxy(phenyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[phenoxy(phenyl)methyl]morpholine?
The canonical SMILES for (2S)-2-[phenoxy(phenyl)methyl]morpholine is c1ccc(OC(c2ccccc2)[C@@H]2CNCCO2)cc1.
What is the InChIKey of (2S)-2-[phenoxy(phenyl)methyl]morpholine?
The InChIKey is ZZOKZBZOODPZFP-BHWOMJMDSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-7-14(8-4-1)17(16-13-18-11-12-19-16)20-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/t16-,17?/m0/s1.
What are the key properties of (2S)-2-[phenoxy(phenyl)methyl]morpholine?
(2S)-2-[phenoxy(phenyl)methyl]morpholine has a molecular weight of 269.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[phenoxy(phenyl)methyl]morpholine is sourced from PubChem (CID 68539153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).