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

C12H11Cl2NS — CID 3062008

IUPAC2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C12H11Cl2NS/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12/h1-6,11H,7,15H2
InChIKeyKAJWVMIFELLKCK-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.30
Rot. Bonds3

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

2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine (PubChem CID 3062008) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine
PubChem CID3062008
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C12H11Cl2NS/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12/h1-6,11H,7,15H2
InChIKeyKAJWVMIFELLKCK-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.30
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?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine (CID 3062008) is 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine is NC(Cc1c(Cl)cccc1Cl)c1cccs1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine?
The InChIKey is KAJWVMIFELLKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12/h1-6,11H,7,15H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine?
2-(2,6-dichlorophenyl)-1-thiophen-2-ylethanamine has a molecular weight of 272.20 g/mol, XLogP of 4.30, 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 is sourced from PubChem (CID 3062008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).