N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine

C13H17NOS — CID 114821235

IUPACN-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1coc(C)c1
InChIInChI=1S/C13H17NOS/c1-3-14-13(7-11-4-5-16-9-11)12-6-10(2)15-8-12/h4-6,8-9,13-14H,3,7H2,1-2H3
InChIKeyOXTLYGKQESZVFD-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.54
Rot. Bonds5

About N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine

N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine (PubChem CID 114821235) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
PubChem CID114821235
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1coc(C)c1
InChIInChI=1S/C13H17NOS/c1-3-14-13(7-11-4-5-16-9-11)12-6-10(2)15-8-12/h4-6,8-9,13-14H,3,7H2,1-2H3
InChIKeyOXTLYGKQESZVFD-UHFFFAOYSA-N
XLogP3.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol
CID 114822893
2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842885
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61078735
N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
CID 105137654
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115841690
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
CID 102757512

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine (CID 114821235) is N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1coc(C)c1.
What is the InChIKey of N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine?
The InChIKey is OXTLYGKQESZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-14-13(7-11-4-5-16-9-11)12-6-10(2)15-8-12/h4-6,8-9,13-14H,3,7H2,1-2H3.
What are the key properties of N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 114821235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).