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

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

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Related Compounds

2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
CID 23594828
2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone
CID 22248265
3-chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-fluorophenoxy)methyl]-4-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]morpholine;2-[(E)-2-(2-fluorophenyl)ethenyl]-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;2-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-methylsulfanylphenyl)ethanone
CID 160945975
4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
CID 110113890
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
CID 22248088
2-(2-methylphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]azocan-5-yl]ethanone
CID 142816397
1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-3-naphthalen-1-ylpropan-1-one
CID 142816330
N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 96998292
(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate
CID 55368942
4-[(3-methyl-2-pyridinyl)methyl]-2-(naphthalen-1-ylmethyl)morpholine
CID 56877258
3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one
CID 124972560

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).