1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine

C13H13Cl2NS — CID 43363563

IUPAC1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C13H13Cl2NS/c1-2-11(16)13-4-3-12(17-13)8-5-9(14)7-10(15)6-8/h3-7,11H,2,16H2,1H3
InChIKeyCVKKAPDFWGRLJF-UHFFFAOYSA-N
MW286.23 g/mol
LogP5.13
Rot. Bonds3

About 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine

1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine (PubChem CID 43363563) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
PubChem CID43363563
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C13H13Cl2NS/c1-2-11(16)13-4-3-12(17-13)8-5-9(14)7-10(15)6-8/h3-7,11H,2,16H2,1H3
InChIKeyCVKKAPDFWGRLJF-UHFFFAOYSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.23
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,6-dibromo-4-chlorophenyl)thiophen-2-yl]propan-1-amine
CID 114209207
1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154192
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363440
1-[5-(4-tert-butylphenyl)thiophen-2-yl]propan-1-amine
CID 43154259
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43331844
1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154452
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 43154441
1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
CID 62634602
1-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]butan-1-amine
CID 62811684
1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]propan-1-amine
CID 55119174

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine (CID 43363563) is 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine is CCC(N)c1ccc(-c2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine?
The InChIKey is CVKKAPDFWGRLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-2-11(16)13-4-3-12(17-13)8-5-9(14)7-10(15)6-8/h3-7,11H,2,16H2,1H3.
What are the key properties of 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine?
1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine has a molecular weight of 286.23 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine is sourced from PubChem (CID 43363563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).