N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine

C14H15N3O — CID 90457301

IUPACN-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine
SMILESCOc1ccc(C)cc1/N=C/Cc1cnccn1
InChIInChI=1S/C14H15N3O/c1-11-3-4-14(18-2)13(9-11)17-6-5-12-10-15-7-8-16-12/h3-4,6-10H,5H2,1-2H3/b17-6+
InChIKeyNDVFPVNQJYYWJG-UBKPWBPPSA-N
MW241.29 g/mol
LogP2.74
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine

N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine (PubChem CID 90457301) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine
PubChem CID90457301
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine
SMILESCOc1ccc(C)cc1/N=C/Cc1cnccn1
InChIInChI=1S/C14H15N3O/c1-11-3-4-14(18-2)13(9-11)17-6-5-12-10-15-7-8-16-12/h3-4,6-10H,5H2,1-2H3/b17-6+
InChIKeyNDVFPVNQJYYWJG-UBKPWBPPSA-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

N-(2-methoxy-5-methylphenyl)-1-pyrazin-2-ylmethanimine
CID 90458869
N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine
CID 90458685
N-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylmethanimine
CID 90458218
N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel
CID 87878645
2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline
CID 83961694
N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine
CID 90457489
(NZ)-N-(2-pyrazin-2-ylethylidene)hydroxylamine
CID 10725399
(NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine
CID 15271619
1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
CID 6466621
CID 174773420
CID 174773420
2-(2-methoxy-5-methylphenyl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62160695
N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine
CID 90458687

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine (CID 90457301) is N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine is COc1ccc(C)cc1/N=C/Cc1cnccn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine?
The InChIKey is NDVFPVNQJYYWJG-UBKPWBPPSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-3-4-14(18-2)13(9-11)17-6-5-12-10-15-7-8-16-12/h3-4,6-10H,5H2,1-2H3/b17-6+.
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine?
N-(2-methoxy-5-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-5-methylphenyl)-2-pyrazin-2-ylethanimine is sourced from PubChem (CID 90457301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).