2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine

C15H16N2O — CID 54101281

IUPAC2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine
SMILESC/N=C(/Cc1ccc(OC)cc1)c1ccncc1
InChIInChI=1S/C15H16N2O/c1-16-15(13-7-9-17-10-8-13)11-12-3-5-14(18-2)6-4-12/h3-10H,11H2,1-2H3/b16-15-
InChIKeyNARFHRULZLDDAI-NXVVXOECSA-N
MW240.31 g/mol
LogP2.75
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine

2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine (PubChem CID 54101281) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine
PubChem CID54101281
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine
SMILESC/N=C(/Cc1ccc(OC)cc1)c1ccncc1
InChIInChI=1S/C15H16N2O/c1-16-15(13-7-9-17-10-8-13)11-12-3-5-14(18-2)6-4-12/h3-10H,11H2,1-2H3/b16-15-
InChIKeyNARFHRULZLDDAI-NXVVXOECSA-N
XLogP2.75
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine (CID 54101281) is 2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine is C/N=C(/Cc1ccc(OC)cc1)c1ccncc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine?
The InChIKey is NARFHRULZLDDAI-NXVVXOECSA-N. The full InChI is InChI=1S/C15H16N2O/c1-16-15(13-7-9-17-10-8-13)11-12-3-5-14(18-2)6-4-12/h3-10H,11H2,1-2H3/b16-15-.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine?
2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine has a molecular weight of 240.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine is sourced from PubChem (CID 54101281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).