N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine

C13H13ClFNS — CID 43180860

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(NCc1ccc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C13H13ClFNS/c1-9(10-2-4-11(15)5-3-10)16-8-12-6-7-13(14)17-12/h2-7,9,16H,8H2,1H3
InChIKeyYCTJHCKVQLLSLY-UHFFFAOYSA-N
MW269.77 g/mol
LogP4.39
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 43180860) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID43180860
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(NCc1ccc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C13H13ClFNS/c1-9(10-2-4-11(15)5-3-10)16-8-12-6-7-13(14)17-12/h2-7,9,16H,8H2,1H3
InChIKeyYCTJHCKVQLLSLY-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chlorothiophen-2-yl)methyl]-1-(4-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]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine (CID 43180860) is N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine is CC(NCc1ccc(Cl)s1)c1ccc(F)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is YCTJHCKVQLLSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c1-9(10-2-4-11(15)5-3-10)16-8-12-6-7-13(14)17-12/h2-7,9,16H,8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 269.77 g/mol, XLogP of 4.39, 4 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]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 43180860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).