(4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine

C13H14FNOS — CID 91302686

IUPAC(4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine
SMILESCCOc1ccc(C(N)c2ccsc2)cc1F
InChIInChI=1S/C13H14FNOS/c1-2-16-12-4-3-9(7-11(12)14)13(15)10-5-6-17-8-10/h3-8,13H,2,15H2,1H3
InChIKeyRQGPHWQOJJSURE-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.33
Rot. Bonds4

About (4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine

(4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine (PubChem CID 91302686) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine
PubChem CID91302686
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name(4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine
SMILESCCOc1ccc(C(N)c2ccsc2)cc1F
InChIInChI=1S/C13H14FNOS/c1-2-16-12-4-3-9(7-11(12)14)13(15)10-5-6-17-8-10/h3-8,13H,2,15H2,1H3
InChIKeyRQGPHWQOJJSURE-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine (CID 91302686) is (4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine is CCOc1ccc(C(N)c2ccsc2)cc1F.
What is the InChIKey of (4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine?
The InChIKey is RQGPHWQOJJSURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-2-16-12-4-3-9(7-11(12)14)13(15)10-5-6-17-8-10/h3-8,13H,2,15H2,1H3.
What are the key properties of (4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine?
(4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 91302686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).