2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine

C14H16FNOS — CID 55014982

IUPAC2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine
SMILESNCC(OCCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNOS/c15-12-5-3-11(4-6-12)14(10-16)17-8-7-13-2-1-9-18-13/h1-6,9,14H,7-8,10,16H2
InChIKeyGMECLIHCRLTIKK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.15
Rot. Bonds6

About 2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine

2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine (PubChem CID 55014982) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine
PubChem CID55014982
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine
SMILESNCC(OCCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNOS/c15-12-5-3-11(4-6-12)14(10-16)17-8-7-13-2-1-9-18-13/h1-6,9,14H,7-8,10,16H2
InChIKeyGMECLIHCRLTIKK-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine (CID 55014982) is 2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine is NCC(OCCc1cccs1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine?
The InChIKey is GMECLIHCRLTIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c15-12-5-3-11(4-6-12)14(10-16)17-8-7-13-2-1-9-18-13/h1-6,9,14H,7-8,10,16H2.
What are the key properties of 2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine?
2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine is sourced from PubChem (CID 55014982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).