N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine

C14H17N3O2 — CID 107381915

IUPACN-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2ccc(OC)cc2)cn1
InChIInChI=1S/C14H17N3O2/c1-3-15-8-11-9-17-14(10-16-11)19-13-6-4-12(18-2)5-7-13/h4-7,9-10,15H,3,8H2,1-2H3
InChIKeyBETCFWSRQXPCPY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.39
Rot. Bonds6

About N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine

N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine (PubChem CID 107381915) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
PubChem CID107381915
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2ccc(OC)cc2)cn1
InChIInChI=1S/C14H17N3O2/c1-3-15-8-11-9-17-14(10-16-11)19-13-6-4-12(18-2)5-7-13/h4-7,9-10,15H,3,8H2,1-2H3
InChIKeyBETCFWSRQXPCPY-UHFFFAOYSA-N
XLogP2.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2,6-dimethoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381670
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382000
N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381985
N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381649
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
N-[[6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 66449623
N-[(5-methoxypyrazin-2-yl)methyl]-2-methylpropan-1-amine
CID 107381363
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate
CID 118176752
N-[[5-[3-(2-methoxyethoxy)propoxy]pyrazin-2-yl]methyl]ethanamine
CID 107382552

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine (CID 107381915) is N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine is CCNCc1cnc(Oc2ccc(OC)cc2)cn1.
What is the InChIKey of N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is BETCFWSRQXPCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-15-8-11-9-17-14(10-16-11)19-13-6-4-12(18-2)5-7-13/h4-7,9-10,15H,3,8H2,1-2H3.
What are the key properties of N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine?
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 259.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107381915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).