1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine

C13H13Cl2NS — CID 61078368

IUPAC1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NS/c1-16-13(6-9-4-5-17-8-9)10-2-3-11(14)12(15)7-10/h2-5,7-8,13,16H,6H2,1H3
InChIKeyHRTOJMUUSJACSB-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.56
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine

1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine (PubChem CID 61078368) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
PubChem CID61078368
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NS/c1-16-13(6-9-4-5-17-8-9)10-2-3-11(14)12(15)7-10/h2-5,7-8,13,16H,6H2,1H3
InChIKeyHRTOJMUUSJACSB-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
[1-(4-chloro-3-methylphenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297731
1-(3-bromo-4-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 82808675
1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077843
N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine
CID 105172214
N-methyl-1-pyridin-3-yl-2-thiophen-3-ylethanamine
CID 61077665
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077656
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105164504

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine (CID 61078368) is 1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine is CNC(Cc1ccsc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The InChIKey is HRTOJMUUSJACSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-16-13(6-9-4-5-17-8-9)10-2-3-11(14)12(15)7-10/h2-5,7-8,13,16H,6H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine has a molecular weight of 286.23 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 61078368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).