N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine

C15H19N3O — CID 63969223

IUPACN-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine
SMILESCCCNC(COc1ccccc1)c1cnccn1
InChIInChI=1S/C15H19N3O/c1-2-8-17-15(14-11-16-9-10-18-14)12-19-13-6-4-3-5-7-13/h3-7,9-11,15,17H,2,8,12H2,1H3
InChIKeyUAVHXSBXRNAAIR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.60
Rot. Bonds7

About N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine

N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine (PubChem CID 63969223) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine
PubChem CID63969223
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine
SMILESCCCNC(COc1ccccc1)c1cnccn1
InChIInChI=1S/C15H19N3O/c1-2-8-17-15(14-11-16-9-10-18-14)12-19-13-6-4-3-5-7-13/h3-7,9-11,15,17H,2,8,12H2,1H3
InChIKeyUAVHXSBXRNAAIR-UHFFFAOYSA-N
XLogP2.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 105150138
N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine
CID 66053069
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 115860421
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416707
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenoxyethyl]propan-1-amine
CID 114649647
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 62601550
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
N-[1-(2,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416221
N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
CID 103759753

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine?
The IUPAC name of N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine (CID 63969223) is N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine?
The canonical SMILES for N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine is CCCNC(COc1ccccc1)c1cnccn1.
What is the InChIKey of N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine?
The InChIKey is UAVHXSBXRNAAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-8-17-15(14-11-16-9-10-18-14)12-19-13-6-4-3-5-7-13/h3-7,9-11,15,17H,2,8,12H2,1H3.
What are the key properties of N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine?
N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 63969223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).