N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

C12H17F3N2S — CID 54927187

IUPACN-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESFC(F)(F)CN1CCC(CNCc2cccs2)C1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)9-17-4-3-10(8-17)6-16-7-11-2-1-5-18-11/h1-2,5,10,16H,3-4,6-9H2
InChIKeyAESKTKOZQRVJRD-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.72
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (PubChem CID 54927187) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
PubChem CID54927187
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESFC(F)(F)CN1CCC(CNCc2cccs2)C1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)9-17-4-3-10(8-17)6-16-7-11-2-1-5-18-11/h1-2,5,10,16H,3-4,6-9H2
InChIKeyAESKTKOZQRVJRD-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Thiophen-2-ylmethyl)piperidin-4-yl]methanamine
CID 23004745
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
N'-[3-(thiophen-2-ylmethylamino)propyl]octane-1,8-diamine
CID 76324403
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262
N,N-Dimethyl-N'-[(3-methyl-2-thienyl)methyl]-1,2-ethanediamine
CID 4720499
N,N-Dimethyl-N'-(thien-2-ylmethyl)ethane-1,2-diamine
CID 3154216
N-(3-aminopropyl)-N'-[3-(thiophen-2-ylmethylamino)propyl]butane-1,4-diamine
CID 76324406
N~1~,N~2~-bis(2-thienylmethyl)-1,2-ethanediamine
CID 450351
1-(Thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine
CID 126855036
2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 961341
2-Methyl-N-(2-thienylmethyl)-1-propanamine hydrochloride
CID 17291253
Methyl({1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}methyl)amine dihydrochloride
CID 62513955

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (CID 54927187) is N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is FC(F)(F)CN1CCC(CNCc2cccs2)C1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is AESKTKOZQRVJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c13-12(14,15)9-17-4-3-10(8-17)6-16-7-11-2-1-5-18-11/h1-2,5,10,16H,3-4,6-9H2.
What are the key properties of N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 278.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 54927187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).