N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine

C15H19N3O2 — CID 107381742

IUPACN-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2cccc(OC)c2)cn1
InChIInChI=1S/C15H19N3O2/c1-3-7-16-9-12-10-18-15(11-17-12)20-14-6-4-5-13(8-14)19-2/h4-6,8,10-11,16H,3,7,9H2,1-2H3
InChIKeyZEFVPBCVLJLKLI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.78
Rot. Bonds7

About N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine

N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107381742) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107381742
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2cccc(OC)c2)cn1
InChIInChI=1S/C15H19N3O2/c1-3-7-16-9-12-10-18-15(11-17-12)20-14-6-4-5-13(8-14)19-2/h4-6,8,10-11,16H,3,7,9H2,1-2H3
InChIKeyZEFVPBCVLJLKLI-UHFFFAOYSA-N
XLogP2.78
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382158
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915
N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107382196
N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381727
N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382115
N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381761
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297990
N-[[5-(3-iodophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381977
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[[5-(2,6-dimethoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381670
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381438

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine (CID 107381742) is N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(Oc2cccc(OC)c2)cn1.
What is the InChIKey of N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is ZEFVPBCVLJLKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-7-16-9-12-10-18-15(11-17-12)20-14-6-4-5-13(8-14)19-2/h4-6,8,10-11,16H,3,7,9H2,1-2H3.
What are the key properties of N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107381742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).