(2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine

C20H25NO4 — CID 92984956

IUPAC(2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCO[C@H](COc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C20H25NO4/c1-22-17-5-3-16(4-6-17)13-21-11-12-24-20(14-21)15-25-19-9-7-18(23-2)8-10-19/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1
InChIKeyGKJVTJMJSVYMLI-FQEVSTJZSA-N
MW343.42 g/mol
LogP2.98
Rot. Bonds7

About (2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine

(2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine (PubChem CID 92984956) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine
PubChem CID92984956
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCO[C@H](COc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C20H25NO4/c1-22-17-5-3-16(4-6-17)13-21-11-12-24-20(14-21)15-25-19-9-7-18(23-2)8-10-19/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1
InChIKeyGKJVTJMJSVYMLI-FQEVSTJZSA-N
XLogP2.98
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine?
The IUPAC name of (2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine (CID 92984956) is (2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine is COc1ccc(CN2CCO[C@H](COc3ccc(OC)cc3)C2)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine?
The InChIKey is GKJVTJMJSVYMLI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25NO4/c1-22-17-5-3-16(4-6-17)13-21-11-12-24-20(14-21)15-25-19-9-7-18(23-2)8-10-19/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine?
(2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine has a molecular weight of 343.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 92984956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).