1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine

C13H13ClFNS — CID 107359311

IUPAC1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1ccccc1F)c1sccc1Cl
InChIInChI=1S/C13H13ClFNS/c1-2-13(16,12-10(14)7-8-17-12)9-5-3-4-6-11(9)15/h3-8H,2,16H2,1H3
InChIKeyDTFRAMZYQBQHHS-UHFFFAOYSA-N
MW269.77 g/mol
LogP4.15
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine

1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 107359311) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID107359311
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1ccccc1F)c1sccc1Cl
InChIInChI=1S/C13H13ClFNS/c1-2-13(16,12-10(14)7-8-17-12)9-5-3-4-6-11(9)15/h3-8H,2,16H2,1H3
InChIKeyDTFRAMZYQBQHHS-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine 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 1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine (CID 107359311) is 1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine is CCC(N)(c1ccccc1F)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is DTFRAMZYQBQHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c1-2-13(16,12-10(14)7-8-17-12)9-5-3-4-6-11(9)15/h3-8H,2,16H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine?
1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 269.77 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 107359311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).