N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine

C14H15N3O — CID 90458685

IUPACN-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine
SMILESCOc1c(C)cccc1/N=C/Cc1cnccn1
InChIInChI=1S/C14H15N3O/c1-11-4-3-5-13(14(11)18-2)17-7-6-12-10-15-8-9-16-12/h3-5,7-10H,6H2,1-2H3/b17-7+
InChIKeyDKAGHMDBFPYFAA-REZTVBANSA-N
MW241.29 g/mol
LogP2.74
Rot. Bonds4

About N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine

N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine (PubChem CID 90458685) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine.

Molecular Properties

Compound NameN-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine
PubChem CID90458685
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine
SMILESCOc1c(C)cccc1/N=C/Cc1cnccn1
InChIInChI=1S/C14H15N3O/c1-11-4-3-5-13(14(11)18-2)17-7-6-12-10-15-8-9-16-12/h3-5,7-10H,6H2,1-2H3/b17-7+
InChIKeyDKAGHMDBFPYFAA-REZTVBANSA-N
XLogP2.74
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 2-(2-(4-methoxyphenyl)ethenyl)-, trans-
CID 5375966
Piperazine, 1-(o-methoxyphenyl)-4-(2-(4-pyridyl)ethyl)-
CID 199288
2-(2-Methoxyphenyl)pyridine
CID 231605
N'-(2-methoxybenzylidene)-2-pyridinecarboximidohydrazide
CID 5568682
2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 127035001
2-(3-Methoxy-phenyl)-pyrazine
CID 16740522
(2-Methoxyphenyl)(pyridin-2-yl)methanamine
CID 13405706
Pyridine, 2-[(1E)-2-(4-methoxyphenyl)ethenyl]-
CID 610965
Piperazine, 4-(o-methoxyphenyl)-1-(2-(3-pyridyl)ethyl)-
CID 3045007
2-Methoxy-N-(4-pyridinylmethylene)benzenamine monohydrochloride
CID 3058419
2-Methoxy-5-(pyridin-4-yl)aniline
CID 13734417
2-(2-Methylphenoxy)pyridin-3-amine
CID 16794669

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine?
The IUPAC name of N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine (CID 90458685) is N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine.
What is the SMILES notation for N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine?
The canonical SMILES for N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine is COc1c(C)cccc1/N=C/Cc1cnccn1.
What is the InChIKey of N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine?
The InChIKey is DKAGHMDBFPYFAA-REZTVBANSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-4-3-5-13(14(11)18-2)17-7-6-12-10-15-8-9-16-12/h3-5,7-10H,6H2,1-2H3/b17-7+.
What are the key properties of N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine?
N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine has a molecular weight of 241.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine is sourced from PubChem (CID 90458685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).