N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine

C14H14F3NS — CID 62114391

IUPACN-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1ccc(C(F)(F)F)cc1)c1ccsc1
InChIInChI=1S/C14H14F3NS/c1-18-13(11-6-7-19-9-11)8-10-2-4-12(5-3-10)14(15,16)17/h2-7,9,13,18H,8H2,1H3
InChIKeyUKBFXOACOIODBZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.27
Rot. Bonds4

About N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine

N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62114391) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID62114391
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1ccc(C(F)(F)F)cc1)c1ccsc1
InChIInChI=1S/C14H14F3NS/c1-18-13(11-6-7-19-9-11)8-10-2-4-12(5-3-10)14(15,16)17/h2-7,9,13,18H,8H2,1H3
InChIKeyUKBFXOACOIODBZ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 62601116
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
1-(5-fluoro-3-pyridinyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115804514
N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
CID 65105045
1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115788878
2-(2-fluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 60820385
[2-(4-fluorophenyl)-1-thiophen-3-ylethyl]hydrazine
CID 105196708
1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114221
2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 62601484
2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine
CID 65133054
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
2-(furan-2-yl)-N-methyl-1-thiophen-3-ylethanamine
CID 83175693

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 62114391) is N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1ccc(C(F)(F)F)cc1)c1ccsc1.
What is the InChIKey of N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is UKBFXOACOIODBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-18-13(11-6-7-19-9-11)8-10-2-4-12(5-3-10)14(15,16)17/h2-7,9,13,18H,8H2,1H3.
What are the key properties of N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62114391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).