N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine

C14H14F3NS — CID 55156959

IUPACN-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCCNC(Cc1cccs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H14F3NS/c1-2-18-12(8-9-4-3-7-19-9)10-5-6-11(15)14(17)13(10)16/h3-7,12,18H,2,8H2,1H3
InChIKeyDANOGKLCDDNQIU-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.06
Rot. Bonds5

About N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine

N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 55156959) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID55156959
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCCNC(Cc1cccs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H14F3NS/c1-2-18-12(8-9-4-3-7-19-9)10-5-6-11(15)14(17)13(10)16/h3-7,12,18H,2,8H2,1H3
InChIKeyDANOGKLCDDNQIU-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 81453728
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 82809918
2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62964463
[3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105308798
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 105119949
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860877
1-(5-chlorofuran-2-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 106687804
N-ethyl-3-methylsulfonyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115848221
1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81477797
N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine (CID 55156959) is N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine is CCNC(Cc1cccs1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is DANOGKLCDDNQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-2-18-12(8-9-4-3-7-19-9)10-5-6-11(15)14(17)13(10)16/h3-7,12,18H,2,8H2,1H3.
What are the key properties of N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine?
N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 285.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 55156959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).