2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine

C20H27N3O2 — CID 45237658

IUPAC2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
SMILESCOc1cccc(CC2CN(Cc3nc(C)c(C)nc3C)CCO2)c1
InChIInChI=1S/C20H27N3O2/c1-14-15(2)22-20(16(3)21-14)13-23-8-9-25-19(12-23)11-17-6-5-7-18(10-17)24-4/h5-7,10,19H,8-9,11-13H2,1-4H3
InChIKeyYWDQQXPCQSXZKX-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.85
Rot. Bonds5

About 2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine

2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine (PubChem CID 45237658) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
PubChem CID45237658
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
SMILESCOc1cccc(CC2CN(Cc3nc(C)c(C)nc3C)CCO2)c1
InChIInChI=1S/C20H27N3O2/c1-14-15(2)22-20(16(3)21-14)13-23-8-9-25-19(12-23)11-17-6-5-7-18(10-17)24-4/h5-7,10,19H,8-9,11-13H2,1-4H3
InChIKeyYWDQQXPCQSXZKX-UHFFFAOYSA-N
XLogP2.85
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 56870012
5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
CID 45232008
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95550670
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
(2R)-2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 29257197
2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 45205929
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
3-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 56875111

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine (CID 45237658) is 2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine is COc1cccc(CC2CN(Cc3nc(C)c(C)nc3C)CCO2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine?
The InChIKey is YWDQQXPCQSXZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-15(2)22-20(16(3)21-14)13-23-8-9-25-19(12-23)11-17-6-5-7-18(10-17)24-4/h5-7,10,19H,8-9,11-13H2,1-4H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine?
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine has a molecular weight of 341.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine is sourced from PubChem (CID 45237658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).