2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine

C13H13Cl2NS — CID 65104603

IUPAC2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H13Cl2NS/c1-8-4-10(7-17-8)13(16)5-9-2-3-11(14)6-12(9)15/h2-4,6-7,13H,5,16H2,1H3
InChIKeyFNENHHYYOCLDBN-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.61
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine

2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine (PubChem CID 65104603) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
PubChem CID65104603
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H13Cl2NS/c1-8-4-10(7-17-8)13(16)5-9-2-3-11(14)6-12(9)15/h2-4,6-7,13H,5,16H2,1H3
InChIKeyFNENHHYYOCLDBN-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104441
2-(2,6-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104969
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132810
1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine
CID 105155456
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115839922
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124
2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105132737

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine (CID 65104603) is 2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine is Cc1cc(C(N)Cc2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine?
The InChIKey is FNENHHYYOCLDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-8-4-10(7-17-8)13(16)5-9-2-3-11(14)6-12(9)15/h2-4,6-7,13H,5,16H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine?
2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine has a molecular weight of 286.23 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 65104603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).