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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Related Compounds

2-[2-(trifluoromethyl)-1-benzothiophen-5-yl]acetonitrile
CID 84800834
1-(1-benzothiophen-5-yl)-2-methylpropan-2-amine
CID 124505719
1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine
CID 117484104
2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine
CID 117424152
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
CID 23109614
4-(2-amino-2-methylpropyl)-2-chlorophenol
CID 12826919
2-(1-benzothiophen-2-yl)-2,2-difluoroethanamine
CID 114911441
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
6,16-bis(trifluoromethyl)-7,17-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),5,9,12,14(18),15,19-nonaene
CID 88902918
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
2-(trifluoromethyl)thieno[2,3-c]thiophene
CID 162620972
1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine
CID 117327303

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).