2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine

C21H28FN3O2 — CID 23594820

IUPAC2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine
SMILESCC(C)(C)Oc1nccnc1CN1CCOC(CCc2ccccc2F)C1
InChIInChI=1S/C21H28FN3O2/c1-21(2,3)27-20-19(23-10-11-24-20)15-25-12-13-26-17(14-25)9-8-16-6-4-5-7-18(16)22/h4-7,10-11,17H,8-9,12-15H2,1-3H3
InChIKeyBBMBTHGFEGQYLI-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.63
Rot. Bonds6

About 2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine

2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine (PubChem CID 23594820) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine
PubChem CID23594820
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine
SMILESCC(C)(C)Oc1nccnc1CN1CCOC(CCc2ccccc2F)C1
InChIInChI=1S/C21H28FN3O2/c1-21(2,3)27-20-19(23-10-11-24-20)15-25-12-13-26-17(14-25)9-8-16-6-4-5-7-18(16)22/h4-7,10-11,17H,8-9,12-15H2,1-3H3
InChIKeyBBMBTHGFEGQYLI-UHFFFAOYSA-N
XLogP3.63
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine?
The IUPAC name of 2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine (CID 23594820) is 2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine is CC(C)(C)Oc1nccnc1CN1CCOC(CCc2ccccc2F)C1.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine?
The InChIKey is BBMBTHGFEGQYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-21(2,3)27-20-19(23-10-11-24-20)15-25-12-13-26-17(14-25)9-8-16-6-4-5-7-18(16)22/h4-7,10-11,17H,8-9,12-15H2,1-3H3.
What are the key properties of 2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine?
2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine has a molecular weight of 373.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine is sourced from PubChem (CID 23594820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).