N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine

C15H17N3O — CID 90459010

IUPACN-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine
SMILESCOC(C/N=C/c1cnc(C)cn1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-12-8-18-14(10-17-12)9-16-11-15(19-2)13-6-4-3-5-7-13/h3-10,15H,11H2,1-2H3/b16-9+
InChIKeyUIQMQQXTHQEURD-CXUHLZMHSA-N
MW255.32 g/mol
LogP2.59
Rot. Bonds5

About N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine

N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine (PubChem CID 90459010) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine
PubChem CID90459010
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine
SMILESCOC(C/N=C/c1cnc(C)cn1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-12-8-18-14(10-17-12)9-16-11-15(19-2)13-6-4-3-5-7-13/h3-10,15H,11H2,1-2H3/b16-9+
InChIKeyUIQMQQXTHQEURD-CXUHLZMHSA-N
XLogP2.59
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 ≤ 52.59
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-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine?
The IUPAC name of N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine (CID 90459010) is N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine.
What is the SMILES notation for N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine?
The canonical SMILES for N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine is COC(C/N=C/c1cnc(C)cn1)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine?
The InChIKey is UIQMQQXTHQEURD-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-8-18-14(10-17-12)9-16-11-15(19-2)13-6-4-3-5-7-13/h3-10,15H,11H2,1-2H3/b16-9+.
What are the key properties of N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine?
N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine has a molecular weight of 255.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylethyl)-1-(5-methylpyrazin-2-yl)methanimine is sourced from PubChem (CID 90459010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).