1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine

C14H21F3N2S — CID 60855140

IUPAC1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCc1ccc(C(C)NCC2CCN(CC(F)(F)F)C2)s1
InChIInChI=1S/C14H21F3N2S/c1-10-3-4-13(20-10)11(2)18-7-12-5-6-19(8-12)9-14(15,16)17/h3-4,11-12,18H,5-9H2,1-2H3
InChIKeyYTYFIQOUMKXGDH-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.59
Rot. Bonds5

About 1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine

1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 60855140) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID60855140
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCc1ccc(C(C)NCC2CCN(CC(F)(F)F)C2)s1
InChIInChI=1S/C14H21F3N2S/c1-10-3-4-13(20-10)11(2)18-7-12-5-6-19(8-12)9-14(15,16)17/h3-4,11-12,18H,5-9H2,1-2H3
InChIKeyYTYFIQOUMKXGDH-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (CID 60855140) is 1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is Cc1ccc(C(C)NCC2CCN(CC(F)(F)F)C2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is YTYFIQOUMKXGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-10-3-4-13(20-10)11(2)18-7-12-5-6-19(8-12)9-14(15,16)17/h3-4,11-12,18H,5-9H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 306.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 60855140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).