N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

C13H12F3NS — CID 28668393

IUPACN-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1cccs1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)12-6-2-1-4-10(12)8-17-9-11-5-3-7-18-11/h1-7,17H,8-9H2
InChIKeyZKNGJBXQYQPZDR-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.06
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 28668393) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID28668393
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC NameN-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1cccs1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)12-6-2-1-4-10(12)8-17-9-11-5-3-7-18-11/h1-7,17H,8-9H2
InChIKeyZKNGJBXQYQPZDR-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (CID 28668393) is N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccccc1CNCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZKNGJBXQYQPZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c14-13(15,16)12-6-2-1-4-10(12)8-17-9-11-5-3-7-18-11/h1-7,17H,8-9H2.
What are the key properties of N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 271.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 28668393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).