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

C15H16F3NS — CID 43432705

IUPAC1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(Cc1cccs1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NS/c1-11(8-14-6-3-7-20-14)19-10-12-4-2-5-13(9-12)15(16,17)18/h2-7,9,11,19H,8,10H2,1H3
InChIKeyBFIZSLWKTZVCHW-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.49
Rot. Bonds5

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

1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine (PubChem CID 43432705) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
PubChem CID43432705
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC Name1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(Cc1cccs1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NS/c1-11(8-14-6-3-7-20-14)19-10-12-4-2-5-13(9-12)15(16,17)18/h2-7,9,11,19H,8,10H2,1H3
InChIKeyBFIZSLWKTZVCHW-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine (CID 43432705) is 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine is CC(Cc1cccs1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The InChIKey is BFIZSLWKTZVCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-11(8-14-6-3-7-20-14)19-10-12-4-2-5-13(9-12)15(16,17)18/h2-7,9,11,19H,8,10H2,1H3.
What are the key properties of 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine has a molecular weight of 299.36 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43432705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).