1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine

C13H12ClNS — CID 11601254

IUPAC1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine
SMILESClc1ccccc1/C=N/CCc1cccs1
InChIInChI=1S/C13H12ClNS/c14-13-6-2-1-4-11(13)10-15-8-7-12-5-3-9-16-12/h1-6,9-10H,7-8H2/b15-10+
InChIKeyVHZAAODXMCAZFO-XNTDXEJSSA-N
MW249.77 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine

1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine (PubChem CID 11601254) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine
PubChem CID11601254
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine
SMILESClc1ccccc1/C=N/CCc1cccs1
InChIInChI=1S/C13H12ClNS/c14-13-6-2-1-4-11(13)10-15-8-7-12-5-3-9-16-12/h1-6,9-10H,7-8H2/b15-10+
InChIKeyVHZAAODXMCAZFO-XNTDXEJSSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 54.06
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 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine (CID 11601254) is 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine is Clc1ccccc1/C=N/CCc1cccs1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine?
The InChIKey is VHZAAODXMCAZFO-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H12ClNS/c14-13-6-2-1-4-11(13)10-15-8-7-12-5-3-9-16-12/h1-6,9-10H,7-8H2/b15-10+.
What are the key properties of 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine?
1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine has a molecular weight of 249.77 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine is sourced from PubChem (CID 11601254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).