N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline

C12H11ClFNS — CID 102976781

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1)c1csc(Cl)c1
InChIInChI=1S/C12H11ClFNS/c1-8(9-6-12(13)16-7-9)15-11-4-2-10(14)3-5-11/h2-8,15H,1H3
InChIKeyPVWHTHZGTGCOHG-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.71
Rot. Bonds3

About N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline

N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline (PubChem CID 102976781) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
PubChem CID102976781
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1)c1csc(Cl)c1
InChIInChI=1S/C12H11ClFNS/c1-8(9-6-12(13)16-7-9)15-11-4-2-10(14)3-5-11/h2-8,15H,1H3
InChIKeyPVWHTHZGTGCOHG-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline 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-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline
CID 114082630
N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]ethanesulfonamide
CID 102976918
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylaniline
CID 102976894
N-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethynylaniline
CID 114082603
6-[1-(5-chlorothiophen-3-yl)ethylamino]-4H-1,4-benzoxazin-3-one
CID 102976793
N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide
CID 102976919
2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline
CID 114082819
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
CID 102976765
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43081131
1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 102976441
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline (CID 102976781) is N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline is CC(Nc1ccc(F)cc1)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline?
The InChIKey is PVWHTHZGTGCOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-8(9-6-12(13)16-7-9)15-11-4-2-10(14)3-5-11/h2-8,15H,1H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline?
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline has a molecular weight of 255.75 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 102976781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).