2-phenyl-N-(thiophen-2-ylmethyl)ethanamine

C13H15NS — CID 2060827

IUPAC2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1ccc(CCNCc2cccs2)cc1
InChIInChI=1S/C13H15NS/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h1-7,10,14H,8-9,11H2
InChIKeyITKLGDWBZFUNNV-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.08
Rot. Bonds5

About 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine

2-phenyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 2060827) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID2060827
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1ccc(CCNCc2cccs2)cc1
InChIInChI=1S/C13H15NS/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h1-7,10,14H,8-9,11H2
InChIKeyITKLGDWBZFUNNV-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine (CID 2060827) is 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine is c1ccc(CCNCc2cccs2)cc1.
What is the InChIKey of 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is ITKLGDWBZFUNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h1-7,10,14H,8-9,11H2.
What are the key properties of 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
2-phenyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 217.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 2060827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).