N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

C16H20FN3O — CID 107382234

IUPACN-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)c(Oc2cnc(CNC(C)(C)C)cn2)c1
InChIInChI=1S/C16H20FN3O/c1-11-5-6-13(17)14(7-11)21-15-10-18-12(8-19-15)9-20-16(2,3)4/h5-8,10,20H,9H2,1-4H3
InChIKeySBPLPKOLBNWKPK-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.60
Rot. Bonds4

About N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107382234) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107382234
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)c(Oc2cnc(CNC(C)(C)C)cn2)c1
InChIInChI=1S/C16H20FN3O/c1-11-5-6-13(17)14(7-11)21-15-10-18-12(8-19-15)9-20-16(2,3)4/h5-8,10,20H,9H2,1-4H3
InChIKeySBPLPKOLBNWKPK-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((5-(2-Fluoro-4-methylphenoxy)pyrazin-2-YL)methyl)-N-methylmorpholine-2-carboxamide, (2S)-
CID 146526316
US11166958, Example 36
CID 146526251
US11166958, Example 31
CID 146526328
US11166958, Example 8
CID 146526468
3-[3-(Trifluoromethyl)phenoxy]pyrazine-2-carbonitrile
CID 2821109
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 2822034
4-[(6-Methylpyrazin-2-yl)oxy]benzylamine
CID 24229693
N-Methyl-4-[(6-methylpyrazin-2-yl)oxy]benzylamine
CID 24229697
3-Methyl-5-(3-methylpentyl)-2-phenoxypyrazine
CID 44327248
2,5-Dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine
CID 56707534
4-[(2-Fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 118740174
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 135983232

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (CID 107382234) is N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(F)c(Oc2cnc(CNC(C)(C)C)cn2)c1.
What is the InChIKey of N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is SBPLPKOLBNWKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11-5-6-13(17)14(7-11)21-15-10-18-12(8-19-15)9-20-16(2,3)4/h5-8,10,20H,9H2,1-4H3.
What are the key properties of N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107382234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).