N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine

C12H16N2 — CID 145271202

IUPACN-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine
SMILESC/C=N/c1ccc(C)cc1/C=N/CC
InChIInChI=1S/C12H16N2/c1-4-13-9-11-8-10(3)6-7-12(11)14-5-2/h5-9H,4H2,1-3H3/b13-9+,14-5+
InChIKeyXNJILJJVGMTCLY-ZJMFJUNJSA-N
MW188.27 g/mol
LogP3.16
Rot. Bonds3

About N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine

N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine (PubChem CID 145271202) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine.

Molecular Properties

Compound NameN-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine
PubChem CID145271202
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine
SMILESC/C=N/c1ccc(C)cc1/C=N/CC
InChIInChI=1S/C12H16N2/c1-4-13-9-11-8-10(3)6-7-12(11)14-5-2/h5-9H,4H2,1-3H3/b13-9+,14-5+
InChIKeyXNJILJJVGMTCLY-ZJMFJUNJSA-N
XLogP3.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(ethyliminomethyl)-4-methylphenyl]ethanimine?
The IUPAC name of N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine (CID 145271202) is N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine.
What is the SMILES notation for N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine?
The canonical SMILES for N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine is C/C=N/c1ccc(C)cc1/C=N/CC.
What is the InChIKey of N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine?
The InChIKey is XNJILJJVGMTCLY-ZJMFJUNJSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-13-9-11-8-10(3)6-7-12(11)14-5-2/h5-9H,4H2,1-3H3/b13-9+,14-5+.
What are the key properties of N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine?
N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine has a molecular weight of 188.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethyliminomethyl)-4-methylphenyl]ethanimine is sourced from PubChem (CID 145271202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).