2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride

C12H12Cl3NS — CID 3062007

IUPAC2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCl.NC(Cc1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C12H11Cl2NS.ClH/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12;/h1-6,11H,7,15H2;1H
InChIKeyJOQMRJOMXAHBFF-UHFFFAOYSA-N
MW308.66 g/mol
LogP4.72
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride

2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3062007) has the molecular formula C12H12Cl3NS and a molecular weight of 308.66 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3062007
Molecular FormulaC12H12Cl3NS
Molecular Weight308.66 g/mol
Exact Mass306.98
IUPAC Name2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCl.NC(Cc1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C12H11Cl2NS.ClH/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12;/h1-6,11H,7,15H2;1H
InChIKeyJOQMRJOMXAHBFF-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.66
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride (CID 3062007) is 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride is Cl.NC(Cc1c(Cl)cccc1Cl)c1cccs1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is JOQMRJOMXAHBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS.ClH/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12;/h1-6,11H,7,15H2;1H.
What are the key properties of 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride?
2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 308.66 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 3062007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).