N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine

C13H13ClFNS — CID 28577055

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNS/c14-13-6-5-11(17-13)9-16-8-7-10-3-1-2-4-12(10)15/h1-6,16H,7-9H2
InChIKeySNIQNOUBBYFKSX-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.87
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 28577055) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID28577055
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNS/c14-13-6-5-11(17-13)9-16-8-7-10-3-1-2-4-12(10)15/h1-6,16H,7-9H2
InChIKeySNIQNOUBBYFKSX-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)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-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine (CID 28577055) is N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is SNIQNOUBBYFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c14-13-6-5-11(17-13)9-16-8-7-10-3-1-2-4-12(10)15/h1-6,16H,7-9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 269.77 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 28577055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).