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

C13H13Cl2NS — CID 79807982

IUPAC2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
SMILESCc1cscc1C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NS/c1-8-6-17-7-10(8)13(16)5-9-2-3-11(14)12(15)4-9/h2-4,6-7,13H,5,16H2,1H3
InChIKeyVDWJCBQFQZANKL-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.61
Rot. Bonds3

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

2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine (PubChem CID 79807982) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
PubChem CID79807982
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
SMILESCc1cscc1C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NS/c1-8-6-17-7-10(8)13(16)5-9-2-3-11(14)12(15)4-9/h2-4,6-7,13H,5,16H2,1H3
InChIKeyVDWJCBQFQZANKL-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

N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine
CID 79808186
2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79803199
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 65440865
2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62795612
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 107885313
(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802256
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 107891606
1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81454060
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 107891668

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine (CID 79807982) is 2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine is Cc1cscc1C(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine?
The InChIKey is VDWJCBQFQZANKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-8-6-17-7-10(8)13(16)5-9-2-3-11(14)12(15)4-9/h2-4,6-7,13H,5,16H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine?
2-(3,4-dichlorophenyl)-1-(4-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-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 79807982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).