1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine

C13H13Cl2NS — CID 62049139

IUPAC1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2NS/c1-9(16-7-10-4-5-17-8-10)12-6-11(14)2-3-13(12)15/h2-6,8-9,16H,7H2,1H3
InChIKeyYUCIELFBMJTGPH-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.91
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine

1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 62049139) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID62049139
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2NS/c1-9(16-7-10-4-5-17-8-10)12-6-11(14)2-3-13(12)15/h2-6,8-9,16H,7H2,1H3
InChIKeyYUCIELFBMJTGPH-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiophen-3-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 63247881
1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 82889413
N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65316175
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
CID 55031304
2,5-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 29267007
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
[1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306748
1-(2,5-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 60924210
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine (CID 62049139) is 1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine is CC(NCc1ccsc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is YUCIELFBMJTGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-9(16-7-10-4-5-17-8-10)12-6-11(14)2-3-13(12)15/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine?
1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 286.23 g/mol, XLogP of 4.91, 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)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 62049139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).