N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine

C14H15NS — CID 139061619

IUPACN-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine
SMILESC/C(=N\c1ccc(C)c(C)c1)c1cccs1
InChIInChI=1S/C14H15NS/c1-10-6-7-13(9-11(10)2)15-12(3)14-5-4-8-16-14/h4-9H,1-3H3/b15-12+
InChIKeyYSXNBUJHMHLLFA-NTCAYCPXSA-N
MW229.35 g/mol
LogP4.51
Rot. Bonds2

About N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine

N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine (PubChem CID 139061619) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine
PubChem CID139061619
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC NameN-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine
SMILESC/C(=N\c1ccc(C)c(C)c1)c1cccs1
InChIInChI=1S/C14H15NS/c1-10-6-7-13(9-11(10)2)15-12(3)14-5-4-8-16-14/h4-9H,1-3H3/b15-12+
InChIKeyYSXNBUJHMHLLFA-NTCAYCPXSA-N
XLogP4.51
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 ≤ 54.51
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-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine (CID 139061619) is N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine is C/C(=N\c1ccc(C)c(C)c1)c1cccs1.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine?
The InChIKey is YSXNBUJHMHLLFA-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H15NS/c1-10-6-7-13(9-11(10)2)15-12(3)14-5-4-8-16-14/h4-9H,1-3H3/b15-12+.
What are the key properties of N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine?
N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine has a molecular weight of 229.35 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-thiophen-2-ylethanimine is sourced from PubChem (CID 139061619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).