2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine

C9H12F3NS — CID 115258076

IUPAC2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccsc1CCNCC(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-7-3-5-14-8(7)2-4-13-6-9(10,11)12/h3,5,13H,2,4,6H2,1H3
InChIKeyAFPABLGENYXRCS-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.75
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 115258076) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID115258076
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccsc1CCNCC(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-7-3-5-14-8(7)2-4-13-6-9(10,11)12/h3,5,13H,2,4,6H2,1H3
InChIKeyAFPABLGENYXRCS-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898814
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
3-[2-(3-methylthiophen-2-yl)ethylamino]propane-1-thiol
CID 115225201
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932006
2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115897921
1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 115121696
3-methyl-N-(2,2,2-trifluoroethyl)thiophen-2-amine
CID 115257713
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115245948
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898789
N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255779
N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115897948

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine (CID 115258076) is 2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine is Cc1ccsc1CCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is AFPABLGENYXRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-7-3-5-14-8(7)2-4-13-6-9(10,11)12/h3,5,13H,2,4,6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 223.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 115258076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).