N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline

C14H14F3NS — CID 43095809

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
SMILESCc1ccc(C(C)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3NS/c1-9-6-7-13(19-9)10(2)18-12-5-3-4-11(8-12)14(15,16)17/h3-8,10,18H,1-2H3
InChIKeyVSTXJHINHCQGND-UHFFFAOYSA-N
MW285.33 g/mol
LogP5.25
Rot. Bonds3

About N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline

N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline (PubChem CID 43095809) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
PubChem CID43095809
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
SMILESCc1ccc(C(C)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3NS/c1-9-6-7-13(19-9)10(2)18-12-5-3-4-11(8-12)14(15,16)17/h3-8,10,18H,1-2H3
InChIKeyVSTXJHINHCQGND-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.33
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 62810732
3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 63449719
4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline
CID 43693725
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 64988572
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60935914
N-[1-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43726981
N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43680749
N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43488227
N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline
CID 43716871
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 83058691

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline (CID 43095809) is N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline is Cc1ccc(C(C)Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is VSTXJHINHCQGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-9-6-7-13(19-9)10(2)18-12-5-3-4-11(8-12)14(15,16)17/h3-8,10,18H,1-2H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline?
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 285.33 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43095809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).