N-benzyl-1-(2-chlorophenyl)methanimine

C14H12ClN — CID 11424717

IUPACN-benzyl-1-(2-chlorophenyl)methanimine
SMILESClc1ccccc1/C=N/Cc1ccccc1
InChIInChI=1S/C14H12ClN/c15-14-9-5-4-8-13(14)11-16-10-12-6-2-1-3-7-12/h1-9,11H,10H2/b16-11+
InChIKeyILVPMLYEHFKBBQ-LFIBNONCSA-N
MW229.71 g/mol
LogP3.96
Rot. Bonds3

About N-benzyl-1-(2-chlorophenyl)methanimine

N-benzyl-1-(2-chlorophenyl)methanimine (PubChem CID 11424717) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is N-benzyl-1-(2-chlorophenyl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(2-chlorophenyl)methanimine
PubChem CID11424717
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC NameN-benzyl-1-(2-chlorophenyl)methanimine
SMILESClc1ccccc1/C=N/Cc1ccccc1
InChIInChI=1S/C14H12ClN/c15-14-9-5-4-8-13(14)11-16-10-12-6-2-1-3-7-12/h1-9,11H,10H2/b16-11+
InChIKeyILVPMLYEHFKBBQ-LFIBNONCSA-N
XLogP3.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.96
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-chlorophenyl)methanimine?
The IUPAC name of N-benzyl-1-(2-chlorophenyl)methanimine (CID 11424717) is N-benzyl-1-(2-chlorophenyl)methanimine.
What is the SMILES notation for N-benzyl-1-(2-chlorophenyl)methanimine?
The canonical SMILES for N-benzyl-1-(2-chlorophenyl)methanimine is Clc1ccccc1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(2-chlorophenyl)methanimine?
The InChIKey is ILVPMLYEHFKBBQ-LFIBNONCSA-N. The full InChI is InChI=1S/C14H12ClN/c15-14-9-5-4-8-13(14)11-16-10-12-6-2-1-3-7-12/h1-9,11H,10H2/b16-11+.
What are the key properties of N-benzyl-1-(2-chlorophenyl)methanimine?
N-benzyl-1-(2-chlorophenyl)methanimine has a molecular weight of 229.71 g/mol, XLogP of 3.96, 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-chlorophenyl)methanimine is sourced from PubChem (CID 11424717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).