2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine

C13H14F3NS — CID 117435723

IUPAC2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine
SMILESCC(C)(N)Cc1ccc2sc(C(F)(F)F)cc2c1
InChIInChI=1S/C13H14F3NS/c1-12(2,17)7-8-3-4-10-9(5-8)6-11(18-10)13(14,15)16/h3-6H,7,17H2,1-2H3
InChIKeyAYPAXJGCFZUARD-UHFFFAOYSA-N
MW273.32 g/mol
LogP4.20
Rot. Bonds2

About 2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine

2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine (PubChem CID 117435723) has the molecular formula C13H14F3NS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine
PubChem CID117435723
Molecular FormulaC13H14F3NS
Molecular Weight273.32 g/mol
Exact Mass273.08
IUPAC Name2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine
SMILESCC(C)(N)Cc1ccc2sc(C(F)(F)F)cc2c1
InChIInChI=1S/C13H14F3NS/c1-12(2,17)7-8-3-4-10-9(5-8)6-11(18-10)13(14,15)16/h3-6H,7,17H2,1-2H3
InChIKeyAYPAXJGCFZUARD-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine (CID 117435723) is 2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine is CC(C)(N)Cc1ccc2sc(C(F)(F)F)cc2c1.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine?
The InChIKey is AYPAXJGCFZUARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NS/c1-12(2,17)7-8-3-4-10-9(5-8)6-11(18-10)13(14,15)16/h3-6H,7,17H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine?
2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine has a molecular weight of 273.32 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethyl)-1-benzothiophen-5-yl]propan-2-amine is sourced from PubChem (CID 117435723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).