N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine

C14H14F3NS — CID 43182177

IUPACN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NS/c1-10(18-9-13-6-3-7-19-13)11-4-2-5-12(8-11)14(15,16)17/h2-8,10,18H,9H2,1H3
InChIKeyJGJCQOPDXQXCMN-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.62
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine

N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43182177) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID43182177
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NS/c1-10(18-9-13-6-3-7-19-13)11-4-2-5-12(8-11)14(15,16)17/h2-8,10,18H,9H2,1H3
InChIKeyJGJCQOPDXQXCMN-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43223829
(1S)-1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28649499
1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43204723
(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28668693
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61077581
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 78805305
1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204738
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 1460717
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 104860556

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 43182177) is N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine is CC(NCc1cccs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JGJCQOPDXQXCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-10(18-9-13-6-3-7-19-13)11-4-2-5-12(8-11)14(15,16)17/h2-8,10,18H,9H2,1H3.
What are the key properties of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 43182177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).