1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine

C12H17F3N2S — CID 114271769

IUPAC1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
SMILESCC(N)C(c1ccsc1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2S/c1-8(16)11(9-3-5-18-7-9)17-4-2-10(6-17)12(13,14)15/h3,5,7-8,10-11H,2,4,6,16H2,1H3
InChIKeyNMPHMRYHHDLFRL-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.02
Rot. Bonds3

About 1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine

1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine (PubChem CID 114271769) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
PubChem CID114271769
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
SMILESCC(N)C(c1ccsc1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2S/c1-8(16)11(9-3-5-18-7-9)17-4-2-10(6-17)12(13,14)15/h3,5,7-8,10-11H,2,4,6,16H2,1H3
InChIKeyNMPHMRYHHDLFRL-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine
CID 103530823
N-[1-(2-amino-1-thiophen-3-ylpropyl)pyrrolidin-3-yl]acetamide
CID 113402114
1-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
CID 114271770
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105154131
[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine
CID 62090353
5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-3-amine
CID 114271767
1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine
CID 63973621
1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 62772448
1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
CID 62942234
3-(1,1,1-trifluoropropan-2-yl)thiophene
CID 83381744
2,2,2-trifluoro-1-thiophen-3-ylethanamine
CID 46785673

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine?
The IUPAC name of 1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine (CID 114271769) is 1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine.
What is the SMILES notation for 1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine?
The canonical SMILES for 1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine is CC(N)C(c1ccsc1)N1CCC(C(F)(F)F)C1.
What is the InChIKey of 1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine?
The InChIKey is NMPHMRYHHDLFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-8(16)11(9-3-5-18-7-9)17-4-2-10(6-17)12(13,14)15/h3,5,7-8,10-11H,2,4,6,16H2,1H3.
What are the key properties of 1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine?
1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine has a molecular weight of 278.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine is sourced from PubChem (CID 114271769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).