1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine

C12H18F3NOS — CID 54964719

IUPAC1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
SMILESCCC(NCCCOCC(F)(F)F)c1cccs1
InChIInChI=1S/C12H18F3NOS/c1-2-10(11-5-3-8-18-11)16-6-4-7-17-9-12(13,14)15/h3,5,8,10,16H,2,4,6-7,9H2,1H3
InChIKeyLKOWJRQKLGGJCD-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.76
Rot. Bonds8

About 1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine

1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine (PubChem CID 54964719) has the molecular formula C12H18F3NOS and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
PubChem CID54964719
Molecular FormulaC12H18F3NOS
Molecular Weight281.34 g/mol
Exact Mass281.11
IUPAC Name1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
SMILESCCC(NCCCOCC(F)(F)F)c1cccs1
InChIInChI=1S/C12H18F3NOS/c1-2-10(11-5-3-8-18-11)16-6-4-7-17-9-12(13,14)15/h3,5,8,10,16H,2,4,6-7,9H2,1H3
InChIKeyLKOWJRQKLGGJCD-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]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

Related Compounds

1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82710634
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
N-(2-chloro-1-phenylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 65026203
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 119110315
N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031852
3-[2-(1-thiophen-2-ylpropylamino)ethoxy]benzoic acid
CID 103243828
1-ethyl-2-(thiophen-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111258524
1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961663
N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43093641
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908
1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63828903

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The IUPAC name of 1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine (CID 54964719) is 1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine.
What is the SMILES notation for 1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The canonical SMILES for 1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine is CCC(NCCCOCC(F)(F)F)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
The InChIKey is LKOWJRQKLGGJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NOS/c1-2-10(11-5-3-8-18-11)16-6-4-7-17-9-12(13,14)15/h3,5,8,10,16H,2,4,6-7,9H2,1H3.
What are the key properties of 1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine?
1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine has a molecular weight of 281.34 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine is sourced from PubChem (CID 54964719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).