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

C16H21N3O2 — CID 107381727

IUPACN-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccccc2OCC)cn1
InChIInChI=1S/C16H21N3O2/c1-3-9-17-10-13-11-19-16(12-18-13)21-15-8-6-5-7-14(15)20-4-2/h5-8,11-12,17H,3-4,9-10H2,1-2H3
InChIKeyBHFSWVFMVPXKSM-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.17
Rot. Bonds8

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

N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107381727) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107381727
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccccc2OCC)cn1
InChIInChI=1S/C16H21N3O2/c1-3-9-17-10-13-11-19-16(12-18-13)21-15-8-6-5-7-14(15)20-4-2/h5-8,11-12,17H,3-4,9-10H2,1-2H3
InChIKeyBHFSWVFMVPXKSM-UHFFFAOYSA-N
XLogP3.17
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.17
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-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381761
N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382115
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382000
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381438
N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075242
N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381649
N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62321643
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107381999
N-[[5-(2,6-dimethoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381670
N-[[5-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382158
N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107382196

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine (CID 107381727) is N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(Oc2ccccc2OCC)cn1.
What is the InChIKey of N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is BHFSWVFMVPXKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-9-17-10-13-11-19-16(12-18-13)21-15-8-6-5-7-14(15)20-4-2/h5-8,11-12,17H,3-4,9-10H2,1-2H3.
What are the key properties of N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107381727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).