N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine

C14H16FNS — CID 61078915

IUPACN-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cccc(F)c1
InChIInChI=1S/C14H16FNS/c1-2-16-14(8-11-6-7-17-10-11)12-4-3-5-13(15)9-12/h3-7,9-10,14,16H,2,8H2,1H3
InChIKeyJDNOKYPIOWQMCX-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.78
Rot. Bonds5

About N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine

N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine (PubChem CID 61078915) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
PubChem CID61078915
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cccc(F)c1
InChIInChI=1S/C14H16FNS/c1-2-16-14(8-11-6-7-17-10-11)12-4-3-5-13(15)9-12/h3-7,9-10,14,16H,2,8H2,1H3
InChIKeyJDNOKYPIOWQMCX-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-(3-fluorophenyl)-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

N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61078735
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
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
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine (CID 61078915) is N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine?
The InChIKey is JDNOKYPIOWQMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-2-16-14(8-11-6-7-17-10-11)12-4-3-5-13(15)9-12/h3-7,9-10,14,16H,2,8H2,1H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 61078915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).