5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine

C13H20F3NOS — CID 105023996

IUPAC5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1sccc1OC
InChIInChI=1S/C13H20F3NOS/c1-3-8-17-10(5-4-7-13(14,15)16)12-11(18-2)6-9-19-12/h6,9-10,17H,3-5,7-8H2,1-2H3
InChIKeyNSUGWGGESARSOT-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.53
Rot. Bonds8

About 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine

5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine (PubChem CID 105023996) has the molecular formula C13H20F3NOS and a molecular weight of 295.37 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine
PubChem CID105023996
Molecular FormulaC13H20F3NOS
Molecular Weight295.37 g/mol
Exact Mass295.12
IUPAC Name5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1sccc1OC
InChIInChI=1S/C13H20F3NOS/c1-3-8-17-10(5-4-7-13(14,15)16)12-11(18-2)6-9-19-12/h6,9-10,17H,3-5,7-8H2,1-2H3
InChIKeyNSUGWGGESARSOT-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine (CID 105023996) is 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1sccc1OC.
What is the InChIKey of 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine?
The InChIKey is NSUGWGGESARSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NOS/c1-3-8-17-10(5-4-7-13(14,15)16)12-11(18-2)6-9-19-12/h6,9-10,17H,3-5,7-8H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine?
5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine has a molecular weight of 295.37 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 105023996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).