2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine

C15H20N2OS — CID 43181246

IUPAC2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESc1coc(C(CNCc2ccsc2)N2CCCC2)c1
InChIInChI=1S/C15H20N2OS/c1-2-7-17(6-1)14(15-4-3-8-18-15)11-16-10-13-5-9-19-12-13/h3-5,8-9,12,14,16H,1-2,6-7,10-11H2
InChIKeyHDMQNTYKUJTFNW-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.27
Rot. Bonds6

About 2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine

2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 43181246) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID43181246
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESc1coc(C(CNCc2ccsc2)N2CCCC2)c1
InChIInChI=1S/C15H20N2OS/c1-2-7-17(6-1)14(15-4-3-8-18-15)11-16-10-13-5-9-19-12-13/h3-5,8-9,12,14,16H,1-2,6-7,10-11H2
InChIKeyHDMQNTYKUJTFNW-UHFFFAOYSA-N
XLogP3.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methyl]phenol
CID 43181226
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423
2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43181232
N-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 17483105
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
(2R)-2-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 51627380
4-[[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030017
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 9453091
N-[(4-ethoxyphenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 78805253
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
3-[[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methyl]benzonitrile
CID 47014029
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine (CID 43181246) is 2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine is c1coc(C(CNCc2ccsc2)N2CCCC2)c1.
What is the InChIKey of 2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is HDMQNTYKUJTFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-7-17(6-1)14(15-4-3-8-18-15)11-16-10-13-5-9-19-12-13/h3-5,8-9,12,14,16H,1-2,6-7,10-11H2.
What are the key properties of 2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 43181246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).