N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine

C14H15NS — CID 779006

IUPACN-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine
SMILESCc1ccc(/N=C/c2sccc2C)c(C)c1
InChIInChI=1S/C14H15NS/c1-10-4-5-13(12(3)8-10)15-9-14-11(2)6-7-16-14/h4-9H,1-3H3/b15-9+
InChIKeyCALMYXOYRCEOKZ-OQLLNIDSSA-N
MW229.35 g/mol
LogP4.42
Rot. Bonds2

About N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine

N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine (PubChem CID 779006) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine
PubChem CID779006
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC NameN-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine
SMILESCc1ccc(/N=C/c2sccc2C)c(C)c1
InChIInChI=1S/C14H15NS/c1-10-4-5-13(12(3)8-10)15-9-14-11(2)6-7-16-14/h4-9H,1-3H3/b15-9+
InChIKeyCALMYXOYRCEOKZ-OQLLNIDSSA-N
XLogP4.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.42
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-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine (CID 779006) is N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine is Cc1ccc(/N=C/c2sccc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine?
The InChIKey is CALMYXOYRCEOKZ-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H15NS/c1-10-4-5-13(12(3)8-10)15-9-14-11(2)6-7-16-14/h4-9H,1-3H3/b15-9+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine?
N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine has a molecular weight of 229.35 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine is sourced from PubChem (CID 779006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).