2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine

C13H20F3NOS — CID 80728462

IUPAC2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1COCC(F)(F)F
InChIInChI=1S/C13H20F3NOS/c1-9-10(7-18-8-13(14,15)16)5-11(19-9)6-17-12(2,3)4/h5,17H,6-8H2,1-4H3
InChIKeyWGCVEIUDPUUERK-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.02
Rot. Bonds5

About 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 80728462) has the molecular formula C13H20F3NOS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID80728462
Molecular FormulaC13H20F3NOS
Molecular Weight295.37 g/mol
Exact Mass295.12
IUPAC Name2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1COCC(F)(F)F
InChIInChI=1S/C13H20F3NOS/c1-9-10(7-18-8-13(14,15)16)5-11(19-9)6-17-12(2,3)4/h5,17H,6-8H2,1-4H3
InChIKeyWGCVEIUDPUUERK-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine (CID 80728462) is 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine is Cc1sc(CNC(C)(C)C)cc1COCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is WGCVEIUDPUUERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NOS/c1-9-10(7-18-8-13(14,15)16)5-11(19-9)6-17-12(2,3)4/h5,17H,6-8H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 295.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-4-(2,2,2-trifluoroethoxymethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80728462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).