2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol

C17H22N2O2 — CID 104515115

IUPAC2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol
SMILESCCC(CC)(c1ccccc1)C(O)c1nccnc1OC
InChIInChI=1S/C17H22N2O2/c1-4-17(5-2,13-9-7-6-8-10-13)15(20)14-16(21-3)19-12-11-18-14/h6-12,15,20H,4-5H2,1-3H3
InChIKeyIQTWWKUGARFWQC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.28
Rot. Bonds6

About 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol

2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol (PubChem CID 104515115) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol
PubChem CID104515115
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol
SMILESCCC(CC)(c1ccccc1)C(O)c1nccnc1OC
InChIInChI=1S/C17H22N2O2/c1-4-17(5-2,13-9-7-6-8-10-13)15(20)14-16(21-3)19-12-11-18-14/h6-12,15,20H,4-5H2,1-3H3
InChIKeyIQTWWKUGARFWQC-UHFFFAOYSA-N
XLogP3.28
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-methoxypyrazin-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 104515547
1-(3-methoxypyrazin-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 104515174
1-(3-methoxypyrazin-2-yl)-2-pyridin-2-ylethanol
CID 104515074
2-ethyl-1-(2-methylphenyl)-2-phenylbutan-1-ol
CID 63414226
1-(3-methoxypyrazin-2-yl)-1-phenylethanol
CID 113421421
(3-methoxypyrazin-2-yl)-(1-phenylcyclobutyl)methanol
CID 104515113
2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol
CID 114053788
1-(3-methoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105123869
2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104516709
1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol
CID 115831089
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123968
1-(3-methoxypyrazin-2-yl)-2-(propylamino)ethanol
CID 104516706

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol?
The IUPAC name of 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol (CID 104515115) is 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol?
The canonical SMILES for 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol is CCC(CC)(c1ccccc1)C(O)c1nccnc1OC.
What is the InChIKey of 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol?
The InChIKey is IQTWWKUGARFWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-17(5-2,13-9-7-6-8-10-13)15(20)14-16(21-3)19-12-11-18-14/h6-12,15,20H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol?
2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methoxypyrazin-2-yl)-2-phenylbutan-1-ol is sourced from PubChem (CID 104515115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).