N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline

C14H14F3NS — CID 43103908

IUPACN-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
SMILESCCC(Nc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C14H14F3NS/c1-2-12(13-7-4-8-19-13)18-11-6-3-5-10(9-11)14(15,16)17/h3-9,12,18H,2H2,1H3
InChIKeyXNLCBPMCCBRENB-UHFFFAOYSA-N
MW285.33 g/mol
LogP5.33
Rot. Bonds4

About N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline

N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline (PubChem CID 43103908) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
PubChem CID43103908
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
SMILESCCC(Nc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C14H14F3NS/c1-2-12(13-7-4-8-19-13)18-11-6-3-5-10(9-11)14(15,16)17/h3-9,12,18H,2H2,1H3
InChIKeyXNLCBPMCCBRENB-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.33
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline
CID 63462752
N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline
CID 43095598
2-thiophen-2-yl-2-[3-(trifluoromethyl)anilino]acetamide
CID 69003466
3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline
CID 60943707
N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 86908674
2-bromo-4-(1-thiophen-2-ylpropylamino)benzonitrile
CID 107276105
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline
CID 43206471
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 64988572
3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 115377070
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82710634
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylpropyl)aniline
CID 60936007

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline (CID 43103908) is N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline is CCC(Nc1cccc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline?
The InChIKey is XNLCBPMCCBRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-2-12(13-7-4-8-19-13)18-11-6-3-5-10(9-11)14(15,16)17/h3-9,12,18H,2H2,1H3.
What are the key properties of N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline?
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline has a molecular weight of 285.33 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43103908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).