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

N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 64853702
N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 64854465
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107382214
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107381999
[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373044
[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373102
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314
N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66468621
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
N-[[6-(2-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66451987
N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381761

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).