N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine

C14H15N3O — CID 90457489

IUPACN-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine
SMILESCOc1ccccc1/N=C/Cc1nccnc1C
InChIInChI=1S/C14H15N3O/c1-11-12(17-10-9-15-11)7-8-16-13-5-3-4-6-14(13)18-2/h3-6,8-10H,7H2,1-2H3/b16-8+
InChIKeyKSOMHPGEXLSRFX-LZYBPNLTSA-N
MW241.29 g/mol
LogP2.74
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine

N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine (PubChem CID 90457489) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine
PubChem CID90457489
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine
SMILESCOc1ccccc1/N=C/Cc1nccnc1C
InChIInChI=1S/C14H15N3O/c1-11-12(17-10-9-15-11)7-8-16-13-5-3-4-6-14(13)18-2/h3-6,8-10H,7H2,1-2H3/b16-8+
InChIKeyKSOMHPGEXLSRFX-LZYBPNLTSA-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine?
The IUPAC name of N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine (CID 90457489) is N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine?
The canonical SMILES for N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine is COc1ccccc1/N=C/Cc1nccnc1C.
What is the InChIKey of N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine?
The InChIKey is KSOMHPGEXLSRFX-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-12(17-10-9-15-11)7-8-16-13-5-3-4-6-14(13)18-2/h3-6,8-10H,7H2,1-2H3/b16-8+.
What are the key properties of N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine?
N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine 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-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine is sourced from PubChem (CID 90457489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).