2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine

C21H22N2O — CID 176625736

IUPAC2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cncc(C)n3)cc2)cc1
InChIInChI=1S/C21H22N2O/c1-15-5-7-17(8-6-15)21(3,4)18-9-11-19(12-10-18)24-20-14-22-13-16(2)23-20/h5-14H,1-4H3
InChIKeyAFONEMYKIOPFEE-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.21
Rot. Bonds4

About 2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine

2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine (PubChem CID 176625736) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine.

Molecular Properties

Compound Name2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine
PubChem CID176625736
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cncc(C)n3)cc2)cc1
InChIInChI=1S/C21H22N2O/c1-15-5-7-17(8-6-15)21(3,4)18-9-11-19(12-10-18)24-20-14-22-13-16(2)23-20/h5-14H,1-4H3
InChIKeyAFONEMYKIOPFEE-UHFFFAOYSA-N
XLogP5.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-6-methylpyrazine
CID 58432453
2-chloro-6-(4-methylphenoxy)pyrazine
CID 60726835
4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzenethiol
CID 142069246
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
2-methyl-6-pyridin-3-yloxypyrazine
CID 154575340
[6-(4-methylphenoxy)pyrazin-2-yl]methanol
CID 66467764
2-(chloromethyl)-6-(4-methylphenoxy)pyrazine
CID 66466203
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
1-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]ethanone
CID 176625530
1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
2-(4-tert-butylphenoxy)-5-methylpyridine
CID 135299513
3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole
CID 176626320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine?
The IUPAC name of 2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine (CID 176625736) is 2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine.
What is the SMILES notation for 2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine?
The canonical SMILES for 2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine is Cc1ccc(C(C)(C)c2ccc(Oc3cncc(C)n3)cc2)cc1.
What is the InChIKey of 2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine?
The InChIKey is AFONEMYKIOPFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-5-7-17(8-6-15)21(3,4)18-9-11-19(12-10-18)24-20-14-22-13-16(2)23-20/h5-14H,1-4H3.
What are the key properties of 2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine?
2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine has a molecular weight of 318.42 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine is sourced from PubChem (CID 176625736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).