(2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine

C19H24N2O4 — CID 44578971

IUPAC(2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine
SMILESCCOc1ccccc1O[C@@H](c1cccc(OC)n1)[C@@H]1CNCCO1
InChIInChI=1S/C19H24N2O4/c1-3-23-15-8-4-5-9-16(15)25-19(17-13-20-11-12-24-17)14-7-6-10-18(21-14)22-2/h4-10,17,19-20H,3,11-13H2,1-2H3/t17-,19-/m0/s1
InChIKeyHTJVDZSETPCPGD-HKUYNNGSSA-N
MW344.41 g/mol
LogP2.60
Rot. Bonds7

About (2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine

(2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine (PubChem CID 44578971) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine
PubChem CID44578971
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine
SMILESCCOc1ccccc1O[C@@H](c1cccc(OC)n1)[C@@H]1CNCCO1
InChIInChI=1S/C19H24N2O4/c1-3-23-15-8-4-5-9-16(15)25-19(17-13-20-11-12-24-17)14-7-6-10-18(21-14)22-2/h4-10,17,19-20H,3,11-13H2,1-2H3/t17-,19-/m0/s1
InChIKeyHTJVDZSETPCPGD-HKUYNNGSSA-N
XLogP2.60
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine (CID 44578971) is (2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine is CCOc1ccccc1O[C@@H](c1cccc(OC)n1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
The InChIKey is HTJVDZSETPCPGD-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-23-15-8-4-5-9-16(15)25-19(17-13-20-11-12-24-17)14-7-6-10-18(21-14)22-2/h4-10,17,19-20H,3,11-13H2,1-2H3/t17-,19-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
(2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine has a molecular weight of 344.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-ethoxyphenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine is sourced from PubChem (CID 44578971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).