2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine

C14H16ClNS — CID 3062046

IUPAC2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C14H16ClNS/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11/h3-9,13,16H,2,10H2,1H3
InChIKeyZGLNLUPMCUEWDO-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.29
Rot. Bonds5

About 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine

2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine (PubChem CID 3062046) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine
PubChem CID3062046
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C14H16ClNS/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11/h3-9,13,16H,2,10H2,1H3
InChIKeyZGLNLUPMCUEWDO-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine (CID 3062046) is 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine is CCNC(Cc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine?
The InChIKey is ZGLNLUPMCUEWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-2-16-13(14-4-3-9-17-14)10-11-5-7-12(15)8-6-11/h3-9,13,16H,2,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine?
2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine has a molecular weight of 265.81 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 3062046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).