N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine

C14H14F3NS — CID 43490607

IUPACN-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3NS/c1-2-18-13(12-8-5-9-19-12)10-6-3-4-7-11(10)14(15,16)17/h3-9,13,18H,2H2,1H3
InChIKeyZAVYHTLQXYGFRF-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.47
Rot. Bonds4

About N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine

N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 43490607) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID43490607
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3NS/c1-2-18-13(12-8-5-9-19-12)10-6-3-4-7-11(10)14(15,16)17/h3-9,13,18H,2H2,1H3
InChIKeyZAVYHTLQXYGFRF-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
Tifacogin
CID 961320
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-benzylthiophene-2-carbothioamide
CID 5298964
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167
N-Methyl-N-(3-thien-3-ylbenzyl)amine
CID 18525825
4-(4-fluorophenyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 42773975

Frequently Asked Questions

What is the IUPAC name of N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 43490607) is N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1cccs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is ZAVYHTLQXYGFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-2-18-13(12-8-5-9-19-12)10-6-3-4-7-11(10)14(15,16)17/h3-9,13,18H,2H2,1H3.
What are the key properties of N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[thiophen-2-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43490607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).