(2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine

C20H26N2O3 — CID 44578970

IUPAC(2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine
SMILESCCOc1ccccc1O[C@@H](c1ccc(CC)cn1)[C@@H]1CNCCO1
InChIInChI=1S/C20H26N2O3/c1-3-15-9-10-16(22-13-15)20(19-14-21-11-12-24-19)25-18-8-6-5-7-17(18)23-4-2/h5-10,13,19-21H,3-4,11-12,14H2,1-2H3/t19-,20-/m0/s1
InChIKeyAYXSHRRPHCTQPJ-PMACEKPBSA-N
MW342.44 g/mol
LogP3.15
Rot. Bonds7

About (2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine

(2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine (PubChem CID 44578970) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine
PubChem CID44578970
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine
SMILESCCOc1ccccc1O[C@@H](c1ccc(CC)cn1)[C@@H]1CNCCO1
InChIInChI=1S/C20H26N2O3/c1-3-15-9-10-16(22-13-15)20(19-14-21-11-12-24-19)25-18-8-6-5-7-17(18)23-4-2/h5-10,13,19-21H,3-4,11-12,14H2,1-2H3/t19-,20-/m0/s1
InChIKeyAYXSHRRPHCTQPJ-PMACEKPBSA-N
XLogP3.15
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine (CID 44578970) is (2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine is CCOc1ccccc1O[C@@H](c1ccc(CC)cn1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine?
The InChIKey is AYXSHRRPHCTQPJ-PMACEKPBSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-15-9-10-16(22-13-15)20(19-14-21-11-12-24-19)25-18-8-6-5-7-17(18)23-4-2/h5-10,13,19-21H,3-4,11-12,14H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine?
(2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine has a molecular weight of 342.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine is sourced from PubChem (CID 44578970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).