N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine

C14H15F3N2S — CID 80528200

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(CNc1cc(C(F)(F)F)ccn1)c1cccs1
InChIInChI=1S/C14H15F3N2S/c1-13(2,11-4-3-7-20-11)9-19-12-8-10(5-6-18-12)14(15,16)17/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyJIZADIOADYTSBM-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.55
Rot. Bonds4

About N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine

N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 80528200) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID80528200
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(CNc1cc(C(F)(F)F)ccn1)c1cccs1
InChIInChI=1S/C14H15F3N2S/c1-13(2,11-4-3-7-20-11)9-19-12-8-10(5-6-18-12)14(15,16)17/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyJIZADIOADYTSBM-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115681101
5-tert-butyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874798
N-(2-ethoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114943044
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565509
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721
5-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528270
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528214
N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328284
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747925
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
2-N-ethyl-6-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,6-diamine
CID 80852489
N-(2-methyl-2-thiophen-2-ylpropyl)quinoxalin-2-amine
CID 78962959

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine (CID 80528200) is N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine is CC(C)(CNc1cc(C(F)(F)F)ccn1)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JIZADIOADYTSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-13(2,11-4-3-7-20-11)9-19-12-8-10(5-6-18-12)14(15,16)17/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 300.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 80528200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).