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

C17H23N3O — CID 107381999

IUPACN-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccccc1Oc1cnc(CNC(C)(C)C)cn1
InChIInChI=1S/C17H23N3O/c1-5-13-8-6-7-9-15(13)21-16-12-18-14(10-19-16)11-20-17(2,3)4/h6-10,12,20H,5,11H2,1-4H3
InChIKeyIBXXDTUHRBXPRW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.72
Rot. Bonds5

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

N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107381999) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107381999
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccccc1Oc1cnc(CNC(C)(C)C)cn1
InChIInChI=1S/C17H23N3O/c1-5-13-8-6-7-9-15(13)21-16-12-18-14(10-19-16)11-20-17(2,3)4/h6-10,12,20H,5,11H2,1-4H3
InChIKeyIBXXDTUHRBXPRW-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-ethylphenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 44452774
N-methyl-1-[6-methyl-4-(2-propylphenoxy)-3-pyridinyl]methanamine
CID 44452992
N-((6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)methyl)ethanamine
CID 54582799
N-((6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)methyl)-2-methoxyethanamine
CID 54584775
N-((6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)methyl)-2-methylpropan-1-amine
CID 54585715
5-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinemethanamine
CID 122178902
US11166958, Example 36
CID 146526251
US11166958, Example 8
CID 146526468
5-Isobutyl-3-methyl-2-phenoxypyrazine
CID 528137
US11166958, Example 3
CID 146526313
2-(2-Methylphenoxy)pyridin-3-amine
CID 16794669
2-(2-Tert-butylphenoxy)pyridin-3-amine
CID 28605427

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine (CID 107381999) is N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is CCc1ccccc1Oc1cnc(CNC(C)(C)C)cn1.
What is the InChIKey of N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is IBXXDTUHRBXPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-13-8-6-7-9-15(13)21-16-12-18-14(10-19-16)11-20-17(2,3)4/h6-10,12,20H,5,11H2,1-4H3.
What are the key properties of N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107381999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).