N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine

C15H17N3O — CID 90457634

IUPACN-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine
SMILESCOc1ccccc1C/N=C/Cc1cnc(C)cn1
InChIInChI=1S/C15H17N3O/c1-12-9-18-14(11-17-12)7-8-16-10-13-5-3-4-6-15(13)19-2/h3-6,8-9,11H,7,10H2,1-2H3/b16-8+
InChIKeyNXOCCCLYKOPCDH-LZYBPNLTSA-N
MW255.32 g/mol
LogP2.61
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine

N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine (PubChem CID 90457634) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine
PubChem CID90457634
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine
SMILESCOc1ccccc1C/N=C/Cc1cnc(C)cn1
InChIInChI=1S/C15H17N3O/c1-12-9-18-14(11-17-12)7-8-16-10-13-5-3-4-6-15(13)19-2/h3-6,8-9,11H,7,10H2,1-2H3/b16-8+
InChIKeyNXOCCCLYKOPCDH-LZYBPNLTSA-N
XLogP2.61
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-1-(5-methylpyrazin-2-yl)ethanimine
CID 118868168
2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine
CID 146124952
2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 63172671
1-(azidomethyl)-2-methoxybenzene
CID 11263685
2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine
CID 95825462
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 62848075
8-[(2-methoxyphenyl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72870165
2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 62847895
2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
CID 67531074
3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950190

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine (CID 90457634) is N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine is COc1ccccc1C/N=C/Cc1cnc(C)cn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine?
The InChIKey is NXOCCCLYKOPCDH-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-9-18-14(11-17-12)7-8-16-10-13-5-3-4-6-15(13)19-2/h3-6,8-9,11H,7,10H2,1-2H3/b16-8+.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine?
N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine has a molecular weight of 255.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine is sourced from PubChem (CID 90457634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).