[3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine

C16H21N3O — CID 62674098

IUPAC[3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine
SMILESCc1ccc(Oc2nccnc2CN)c(C(C)(C)C)c1
InChIInChI=1S/C16H21N3O/c1-11-5-6-14(12(9-11)16(2,3)4)20-15-13(10-17)18-7-8-19-15/h5-9H,10,17H2,1-4H3
InChIKeyZBGDLFCYPQTBCG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.33
Rot. Bonds3

About [3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine

[3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine (PubChem CID 62674098) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine
PubChem CID62674098
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine
SMILESCc1ccc(Oc2nccnc2CN)c(C(C)(C)C)c1
InChIInChI=1S/C16H21N3O/c1-11-5-6-14(12(9-11)16(2,3)4)20-15-13(10-17)18-7-8-19-15/h5-9H,10,17H2,1-4H3
InChIKeyZBGDLFCYPQTBCG-UHFFFAOYSA-N
XLogP3.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine (CID 62674098) is [3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine is Cc1ccc(Oc2nccnc2CN)c(C(C)(C)C)c1.
What is the InChIKey of [3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine?
The InChIKey is ZBGDLFCYPQTBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-5-6-14(12(9-11)16(2,3)4)20-15-13(10-17)18-7-8-19-15/h5-9H,10,17H2,1-4H3.
What are the key properties of [3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine?
[3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 62674098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).