3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine

C15H19N3O — CID 65446084

IUPAC3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1cnccn1
InChIInChI=1S/C15H19N3O/c1-16-14(15-11-17-9-10-18-15)8-5-12-3-6-13(19-2)7-4-12/h3-4,6-7,9-11,14,16H,5,8H2,1-2H3
InChIKeyJIMMNZPSRNJTOV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.38
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine

3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine (PubChem CID 65446084) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
PubChem CID65446084
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1cnccn1
InChIInChI=1S/C15H19N3O/c1-16-14(15-11-17-9-10-18-15)8-5-12-3-6-13(19-2)7-4-12/h3-4,6-7,9-11,14,16H,5,8H2,1-2H3
InChIKeyJIMMNZPSRNJTOV-UHFFFAOYSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine (CID 65446084) is 3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine is CNC(CCc1ccc(OC)cc1)c1cnccn1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is JIMMNZPSRNJTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-14(15-11-17-9-10-18-15)8-5-12-3-6-13(19-2)7-4-12/h3-4,6-7,9-11,14,16H,5,8H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine?
3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 65446084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).