5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine

C17H23N3O — CID 103057883

IUPAC5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(COc2cc(C)ccc2C(C)(C)C)cn1
InChIInChI=1S/C17H23N3O/c1-12-6-7-14(17(2,3)4)15(8-12)21-11-13-9-20-16(18-5)10-19-13/h6-10H,11H2,1-5H3,(H,18,20)
InChIKeyGUVYCURVRRCIMP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.70
Rot. Bonds4

About 5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine

5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine (PubChem CID 103057883) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
PubChem CID103057883
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(COc2cc(C)ccc2C(C)(C)C)cn1
InChIInChI=1S/C17H23N3O/c1-12-6-7-14(17(2,3)4)15(8-12)21-11-13-9-20-16(18-5)10-19-13/h6-10H,11H2,1-5H3,(H,18,20)
InChIKeyGUVYCURVRRCIMP-UHFFFAOYSA-N
XLogP3.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059015
5-[(2-tert-butyl-5-methylphenoxy)methyl]pyridin-2-amine
CID 62193136
2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine
CID 103054684
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373044
2-(4-bromobutoxy)-1-tert-butyl-4-methylbenzene
CID 43165224
2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
CID 19168129
5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058876
[5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine
CID 115487166
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine
CID 103059229

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine (CID 103057883) is 5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine is CNc1cnc(COc2cc(C)ccc2C(C)(C)C)cn1.
What is the InChIKey of 5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine?
The InChIKey is GUVYCURVRRCIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-6-7-14(17(2,3)4)15(8-12)21-11-13-9-20-16(18-5)10-19-13/h6-10H,11H2,1-5H3,(H,18,20).
What are the key properties of 5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine?
5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103057883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).