N-benzyl-1-(2-methylphenyl)methanimine;ethane

C17H21N — CID 143782253

IUPACN-benzyl-1-(2-methylphenyl)methanimine;ethane
SMILESCC.Cc1ccccc1/C=N/Cc1ccccc1
InChIInChI=1S/C15H15N.C2H6/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14;1-2/h2-10,12H,11H2,1H3;1-2H3/b16-12+;
InChIKeyZLCUKASOWFBPAO-CLNHMMGSSA-N
MW239.36 g/mol
LogP4.64
Rot. Bonds3

About N-benzyl-1-(2-methylphenyl)methanimine;ethane

N-benzyl-1-(2-methylphenyl)methanimine;ethane (PubChem CID 143782253) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-benzyl-1-(2-methylphenyl)methanimine;ethane.

Molecular Properties

Compound NameN-benzyl-1-(2-methylphenyl)methanimine;ethane
PubChem CID143782253
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-benzyl-1-(2-methylphenyl)methanimine;ethane
SMILESCC.Cc1ccccc1/C=N/Cc1ccccc1
InChIInChI=1S/C15H15N.C2H6/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14;1-2/h2-10,12H,11H2,1H3;1-2H3/b16-12+;
InChIKeyZLCUKASOWFBPAO-CLNHMMGSSA-N
XLogP4.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-benzyl-1-(2-methylphenyl)methanimine;ethane?
The IUPAC name of N-benzyl-1-(2-methylphenyl)methanimine;ethane (CID 143782253) is N-benzyl-1-(2-methylphenyl)methanimine;ethane.
What is the SMILES notation for N-benzyl-1-(2-methylphenyl)methanimine;ethane?
The canonical SMILES for N-benzyl-1-(2-methylphenyl)methanimine;ethane is CC.Cc1ccccc1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(2-methylphenyl)methanimine;ethane?
The InChIKey is ZLCUKASOWFBPAO-CLNHMMGSSA-N. The full InChI is InChI=1S/C15H15N.C2H6/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14;1-2/h2-10,12H,11H2,1H3;1-2H3/b16-12+;.
What are the key properties of N-benzyl-1-(2-methylphenyl)methanimine;ethane?
N-benzyl-1-(2-methylphenyl)methanimine;ethane has a molecular weight of 239.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-methylphenyl)methanimine;ethane is sourced from PubChem (CID 143782253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).