N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine

C15H17N3O3 — CID 66449828

IUPACN-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(Oc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H17N3O3/c1-10(2)17-7-11-6-16-8-15(18-11)21-12-3-4-13-14(5-12)20-9-19-13/h3-6,8,10,17H,7,9H2,1-2H3
InChIKeyAXOYSZHRTFGTCZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.50
Rot. Bonds5

About N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine

N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66449828) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66449828
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(Oc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H17N3O3/c1-10(2)17-7-11-6-16-8-15(18-11)21-12-3-4-13-14(5-12)20-9-19-13/h3-6,8,10,17H,7,9H2,1-2H3
InChIKeyAXOYSZHRTFGTCZ-UHFFFAOYSA-N
XLogP2.50
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296536
N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296181
N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450240
N-[[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-2-amine
CID 66451348
N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
CID 43282411
N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450434
2-(1,3-benzodioxol-5-yloxy)-5-butan-2-ylpyridine
CID 70948992
N-[(6-ethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66450778
N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451389
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66451416
1-[2-(1,3-benzodioxol-5-yloxy)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 113377970

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine (CID 66449828) is N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cncc(Oc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is AXOYSZHRTFGTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(2)17-7-11-6-16-8-15(18-11)21-12-3-4-13-14(5-12)20-9-19-13/h3-6,8,10,17H,7,9H2,1-2H3.
What are the key properties of N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 287.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66449828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).