N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

C15H16F3NS — CID 75863883

IUPACN-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(c1cccs1)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NS/c1-11(14-7-4-8-20-14)19(2)10-12-5-3-6-13(9-12)15(16,17)18/h3-9,11H,10H2,1-2H3
InChIKeyDDVTWJKLGZYBFD-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.96
Rot. Bonds4

About N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 75863883) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID75863883
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC NameN-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(c1cccs1)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NS/c1-11(14-7-4-8-20-14)19(2)10-12-5-3-6-13(9-12)15(16,17)18/h3-9,11H,10H2,1-2H3
InChIKeyDDVTWJKLGZYBFD-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine 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 N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 75863883) is N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is CC(c1cccs1)N(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is DDVTWJKLGZYBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-11(14-7-4-8-20-14)19(2)10-12-5-3-6-13(9-12)15(16,17)18/h3-9,11H,10H2,1-2H3.
What are the key properties of N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 299.36 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 75863883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).