1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine

C13H13Cl2NS — CID 115857028

IUPAC1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2NS/c14-10-2-3-12(15)11(7-10)13(16)4-1-9-5-6-17-8-9/h2-3,5-8,13H,1,4,16H2
InChIKeyAHVLRXZFOLLIPO-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.69
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine

1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 115857028) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
PubChem CID115857028
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2NS/c14-10-2-3-12(15)11(7-10)13(16)4-1-9-5-6-17-8-9/h2-3,5-8,13H,1,4,16H2
InChIKeyAHVLRXZFOLLIPO-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dichlorophenyl)-3-thiophen-3-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-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 114027060
[1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306748
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 107102339
(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine
CID 171202730
(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
CID 131460461
1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 82883386
(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171202753
1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 106692043
1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 62049139
1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078640
1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 107993221

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine (CID 115857028) is 1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine is NC(CCc1ccsc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is AHVLRXZFOLLIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c14-10-2-3-12(15)11(7-10)13(16)4-1-9-5-6-17-8-9/h2-3,5-8,13H,1,4,16H2.
What are the key properties of 1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine?
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 286.23 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115857028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).