(2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine

C20H26N2O2 — CID 44579374

IUPAC(2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine
SMILESCc1ccc(C(C)C)c(O[C@@H](c2ccccn2)[C@@H]2CNCCO2)c1
InChIInChI=1S/C20H26N2O2/c1-14(2)16-8-7-15(3)12-18(16)24-20(17-6-4-5-9-22-17)19-13-21-10-11-23-19/h4-9,12,14,19-21H,10-11,13H2,1-3H3/t19-,20-/m0/s1
InChIKeyWBUMYVRFZVRYPV-PMACEKPBSA-N
MW326.44 g/mol
LogP3.62
Rot. Bonds5

About (2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine

(2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine (PubChem CID 44579374) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine
PubChem CID44579374
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine
SMILESCc1ccc(C(C)C)c(O[C@@H](c2ccccn2)[C@@H]2CNCCO2)c1
InChIInChI=1S/C20H26N2O2/c1-14(2)16-8-7-15(3)12-18(16)24-20(17-6-4-5-9-22-17)19-13-21-10-11-23-19/h4-9,12,14,19-21H,10-11,13H2,1-3H3/t19-,20-/m0/s1
InChIKeyWBUMYVRFZVRYPV-PMACEKPBSA-N
XLogP3.62
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine (CID 44579374) is (2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine is Cc1ccc(C(C)C)c(O[C@@H](c2ccccn2)[C@@H]2CNCCO2)c1.
What is the InChIKey of (2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine?
The InChIKey is WBUMYVRFZVRYPV-PMACEKPBSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)16-8-7-15(3)12-18(16)24-20(17-6-4-5-9-22-17)19-13-21-10-11-23-19/h4-9,12,14,19-21H,10-11,13H2,1-3H3/t19-,20-/m0/s1.
What are the key properties of (2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine?
(2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine has a molecular weight of 326.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine is sourced from PubChem (CID 44579374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).