N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine

C15H17F3N2S — CID 82794611

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)(C)c1ccc(CNc2ccc(C(F)(F)F)nc2)s1
InChIInChI=1S/C15H17F3N2S/c1-14(2,3)13-7-5-11(21-13)9-19-10-4-6-12(20-8-10)15(16,17)18/h4-8,19H,9H2,1-3H3
InChIKeyFYSZBZKRUPMAHJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.07
Rot. Bonds3

About N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine

N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82794611) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82794611
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)(C)c1ccc(CNc2ccc(C(F)(F)F)nc2)s1
InChIInChI=1S/C15H17F3N2S/c1-14(2,3)13-7-5-11(21-13)9-19-10-4-6-12(20-8-10)15(16,17)18/h4-8,19H,9H2,1-3H3
InChIKeyFYSZBZKRUPMAHJ-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-tert-butylthiophen-2-yl)methyl]aniline
CID 58624276
N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylpyrazol-4-amine
CID 81499024
[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol
CID 82811906
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810835
N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810952
N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811102
N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811109
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82810692
N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 177379300
N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103934195
N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82811775
N-[(5-tert-butylthiophen-2-yl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107643619

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine (CID 82794611) is N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine is CC(C)(C)c1ccc(CNc2ccc(C(F)(F)F)nc2)s1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is FYSZBZKRUPMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-14(2,3)13-7-5-11(21-13)9-19-10-4-6-12(20-8-10)15(16,17)18/h4-8,19H,9H2,1-3H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 314.38 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82794611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).