1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine

C15H14ClN — CID 592516

IUPAC1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine
SMILESClc1ccc(/C=N/CCc2ccccc2)cc1
InChIInChI=1S/C15H14ClN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2/b17-12+
InChIKeyDXEDQNQOYVPKRF-SFQUDFHCSA-N
MW243.74 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine

1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine (PubChem CID 592516) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine
PubChem CID592516
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine
SMILESClc1ccc(/C=N/CCc2ccccc2)cc1
InChIInChI=1S/C15H14ClN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2/b17-12+
InChIKeyDXEDQNQOYVPKRF-SFQUDFHCSA-N
XLogP4.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 54.00
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 1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine (CID 592516) is 1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine is Clc1ccc(/C=N/CCc2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine?
The InChIKey is DXEDQNQOYVPKRF-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H14ClN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2/b17-12+.
What are the key properties of 1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine?
1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine has a molecular weight of 243.74 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-phenylethyl)methanimine is sourced from PubChem (CID 592516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).