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

C19H22FNO3 — CID 127029386

IUPAC(2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCO[C@H](COc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H22FNO3/c1-22-17-6-2-15(3-7-17)12-21-10-11-23-19(13-21)14-24-18-8-4-16(20)5-9-18/h2-9,19H,10-14H2,1H3/t19-/m0/s1
InChIKeyOLMJJJIFXXWTMP-IBGZPJMESA-N
MW331.39 g/mol
LogP3.11
Rot. Bonds6

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

(2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine (PubChem CID 127029386) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine
PubChem CID127029386
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name(2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCO[C@H](COc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H22FNO3/c1-22-17-6-2-15(3-7-17)12-21-10-11-23-19(13-21)14-24-18-8-4-16(20)5-9-18/h2-9,19H,10-14H2,1H3/t19-/m0/s1
InChIKeyOLMJJJIFXXWTMP-IBGZPJMESA-N
XLogP3.11
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine?
The IUPAC name of (2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine (CID 127029386) is (2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine is COc1ccc(CN2CCO[C@H](COc3ccc(F)cc3)C2)cc1.
What is the InChIKey of (2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine?
The InChIKey is OLMJJJIFXXWTMP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FNO3/c1-22-17-6-2-15(3-7-17)12-21-10-11-23-19(13-21)14-24-18-8-4-16(20)5-9-18/h2-9,19H,10-14H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine?
(2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine has a molecular weight of 331.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenoxy)methyl]-4-[(4-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 127029386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).