1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine

C13H13ClFNS — CID 107993297

IUPAC1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H13ClFNS/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13H,4,6,16H2
InChIKeyYCRFBIIOVRELIJ-UHFFFAOYSA-N
MW269.77 g/mol
LogP4.17
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine

1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 107993297) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID107993297
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H13ClFNS/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13H,4,6,16H2
InChIKeyYCRFBIIOVRELIJ-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-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

Related Compounds

1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 65149932
1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 63773688
1-(2-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63776013
1-(3-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774801
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
CID 107884640
1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860775
1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 118021340
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
CID 75498486
1-(4-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 107894455
2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 79441894
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine (CID 107993297) is 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine is NC(CCc1cccs1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is YCRFBIIOVRELIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13H,4,6,16H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine?
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 269.77 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 107993297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).