(2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine

C18H22N2O3 — CID 44578926

IUPAC(2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
SMILESCCOc1ccccc1O[C@@H](c1cccnc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H22N2O3/c1-2-21-15-7-3-4-8-16(15)23-18(14-6-5-9-19-12-14)17-13-20-10-11-22-17/h3-9,12,17-18,20H,2,10-11,13H2,1H3/t17-,18-/m0/s1
InChIKeyFMOPBZKBYNKBBB-ROUUACIJSA-N
MW314.39 g/mol
LogP2.59
Rot. Bonds6

About (2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine

(2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine (PubChem CID 44578926) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
PubChem CID44578926
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
SMILESCCOc1ccccc1O[C@@H](c1cccnc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H22N2O3/c1-2-21-15-7-3-4-8-16(15)23-18(14-6-5-9-19-12-14)17-13-20-10-11-22-17/h3-9,12,17-18,20H,2,10-11,13H2,1H3/t17-,18-/m0/s1
InChIKeyFMOPBZKBYNKBBB-ROUUACIJSA-N
XLogP2.59
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.59
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)-pyridin-3-ylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine (CID 44578926) is (2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine is CCOc1ccccc1O[C@@H](c1cccnc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine?
The InChIKey is FMOPBZKBYNKBBB-ROUUACIJSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-21-15-7-3-4-8-16(15)23-18(14-6-5-9-19-12-14)17-13-20-10-11-22-17/h3-9,12,17-18,20H,2,10-11,13H2,1H3/t17-,18-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine?
(2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine has a molecular weight of 314.39 g/mol, XLogP of 2.59, 6 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)-pyridin-3-ylmethyl]morpholine is sourced from PubChem (CID 44578926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).