3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C14H14F3NS — CID 62810348

IUPAC3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1cc(F)c(F)c(F)c1)c1cccs1
InChIInChI=1S/C14H14F3NS/c1-8(2)14(12-4-3-5-19-12)18-9-6-10(15)13(17)11(16)7-9/h3-8,14,18H,1-2H3
InChIKeyXTJKTNGFVQCNGN-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.97
Rot. Bonds4

About 3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 62810348) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID62810348
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1cc(F)c(F)c(F)c1)c1cccs1
InChIInChI=1S/C14H14F3NS/c1-8(2)14(12-4-3-5-19-12)18-9-6-10(15)13(17)11(16)7-9/h3-8,14,18H,1-2H3
InChIKeyXTJKTNGFVQCNGN-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65437692
3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 102815767
N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline
CID 62809644
4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 103590138
3,4-dimethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43760000
3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739717
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43762497
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
5-fluoro-2-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807251
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 115761561

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 62810348) is 3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is CC(C)C(Nc1cc(F)c(F)c(F)c1)c1cccs1.
What is the InChIKey of 3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is XTJKTNGFVQCNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-8(2)14(12-4-3-5-19-12)18-9-6-10(15)13(17)11(16)7-9/h3-8,14,18H,1-2H3.
What are the key properties of 3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 285.33 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 62810348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).