N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine

C14H17NS — CID 65099364

IUPACN-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine
SMILESCCNC(C)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C14H17NS/c1-3-15-11(2)12-5-4-6-13(9-12)14-7-8-16-10-14/h4-11,15H,3H2,1-2H3
InChIKeyBGAIFEPQIZDYPU-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.09
Rot. Bonds4

About N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine

N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine (PubChem CID 65099364) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine
PubChem CID65099364
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine
SMILESCCNC(C)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C14H17NS/c1-3-15-11(2)12-5-4-6-13(9-12)14-7-8-16-10-14/h4-11,15H,3H2,1-2H3
InChIKeyBGAIFEPQIZDYPU-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-(3-thiophen-3-ylphenyl)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 N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine (CID 65099364) is N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine is CCNC(C)c1cccc(-c2ccsc2)c1.
What is the InChIKey of N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine?
The InChIKey is BGAIFEPQIZDYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-15-11(2)12-5-4-6-13(9-12)14-7-8-16-10-14/h4-11,15H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine?
N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine has a molecular weight of 231.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine is sourced from PubChem (CID 65099364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).