2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine

C13H20F3NS — CID 112745628

IUPAC2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine
SMILESCC(C)CNCC(C)Cc1cscc1C(F)(F)F
InChIInChI=1S/C13H20F3NS/c1-9(2)5-17-6-10(3)4-11-7-18-8-12(11)13(14,15)16/h7-10,17H,4-6H2,1-3H3
InChIKeyIMVKUOKSGCSNRE-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.19
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine

2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine (PubChem CID 112745628) has the molecular formula C13H20F3NS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine
PubChem CID112745628
Molecular FormulaC13H20F3NS
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine
SMILESCC(C)CNCC(C)Cc1cscc1C(F)(F)F
InChIInChI=1S/C13H20F3NS/c1-9(2)5-17-6-10(3)4-11-7-18-8-12(11)13(14,15)16/h7-10,17H,4-6H2,1-3H3
InChIKeyIMVKUOKSGCSNRE-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine 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 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine (CID 112745628) is 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine is CC(C)CNCC(C)Cc1cscc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine?
The InChIKey is IMVKUOKSGCSNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NS/c1-9(2)5-17-6-10(3)4-11-7-18-8-12(11)13(14,15)16/h7-10,17H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine?
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine has a molecular weight of 279.37 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)thiophen-3-yl]propan-1-amine is sourced from PubChem (CID 112745628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).