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

C13H13Cl2NS — CID 61077656

IUPAC1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2NS/c1-16-12(7-9-5-6-17-8-9)10-3-2-4-11(14)13(10)15/h2-6,8,12,16H,7H2,1H3
InChIKeyKVOBFSJTRJIJBA-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.56
Rot. Bonds4

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

1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine (PubChem CID 61077656) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
PubChem CID61077656
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2NS/c1-16-12(7-9-5-6-17-8-9)10-3-2-4-11(14)13(10)15/h2-6,8,12,16H,7H2,1H3
InChIKeyKVOBFSJTRJIJBA-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-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857101
1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077843
1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 62604150
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
1-(2,3-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019795
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61078910
2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
CID 106867306
1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141888

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine (CID 61077656) is 1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine is CNC(Cc1ccsc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The InChIKey is KVOBFSJTRJIJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-16-12(7-9-5-6-17-8-9)10-3-2-4-11(14)13(10)15/h2-6,8,12,16H,7H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
1-(2,3-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-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 61077656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).