N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine

C17H23N3O — CID 66451416

IUPACN-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCc1cc(C)c(C)c(Oc2cncc(CNC(C)C)n2)c1
InChIInChI=1S/C17H23N3O/c1-11(2)19-9-15-8-18-10-17(20-15)21-16-7-12(3)6-13(4)14(16)5/h6-8,10-11,19H,9H2,1-5H3
InChIKeyNRWUCCSVTJXLJH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.69
Rot. Bonds5

About N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine

N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66451416) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66451416
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCc1cc(C)c(C)c(Oc2cncc(CNC(C)C)n2)c1
InChIInChI=1S/C17H23N3O/c1-11(2)19-9-15-8-18-10-17(20-15)21-16-7-12(3)6-13(4)14(16)5/h6-8,10-11,19H,9H2,1-5H3
InChIKeyNRWUCCSVTJXLJH-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451411
N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450434
N-[[6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62323095
N-ethyl-6-(2,3,5-trimethylphenoxy)pyrazin-2-amine
CID 80881852
N-[(6-ethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66450778
N-[[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-2-amine
CID 66451348
N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450240
N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451389
N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66449828
N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine
CID 66449819
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66467044
N-[[6-(2-chloro-4-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66468621

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine (CID 66451416) is N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine is Cc1cc(C)c(C)c(Oc2cncc(CNC(C)C)n2)c1.
What is the InChIKey of N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is NRWUCCSVTJXLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)19-9-15-8-18-10-17(20-15)21-16-7-12(3)6-13(4)14(16)5/h6-8,10-11,19H,9H2,1-5H3.
What are the key properties of N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66451416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).