[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine

C12H19FN2S — CID 166924643

IUPAC[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(CCc2ccc(F)s2)C1
InChIInChI=1S/C12H19FN2S/c1-15-7-6-12(8-14,9-15)5-4-10-2-3-11(13)16-10/h2-3H,4-9,14H2,1H3
InChIKeyQOYVVFHFKVOUPZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.10
Rot. Bonds4

About [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine

[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 166924643) has the molecular formula C12H19FN2S and a molecular weight of 242.36 g/mol. Its IUPAC name is [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID166924643
Molecular FormulaC12H19FN2S
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Name[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(CCc2ccc(F)s2)C1
InChIInChI=1S/C12H19FN2S/c1-15-7-6-12(8-14,9-15)5-4-10-2-3-11(13)16-10/h2-3H,4-9,14H2,1H3
InChIKeyQOYVVFHFKVOUPZ-UHFFFAOYSA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-(fluoromethyl)-4-(5-methylthiophen-2-yl)pyrrolidine
CID 129492908
8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662163
8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine
CID 118662171
1-Methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine
CID 3056240
3-[5-(Trifluoromethyl)thiophen-2-yl]pyrrolidine
CID 82392457
3-Fluoro-3-(thiophen-2-ylmethyl)pyrrolidine
CID 83817462
3-Fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine
CID 83819154
4-Fluoro-4-[(5-methylthiophen-2-yl)methyl]piperidine
CID 83821331
3-Fluoro-3-[(5-methylthiophen-2-yl)methyl]piperidine
CID 83821332
2-[5-(2-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 84196242
2-[5-(4-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 84196243
2-[5-(3-fluorophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 84196244

Frequently Asked Questions

What is the IUPAC name of [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine (CID 166924643) is [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine is CN1CCC(CN)(CCc2ccc(F)s2)C1.
What is the InChIKey of [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is QOYVVFHFKVOUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2S/c1-15-7-6-12(8-14,9-15)5-4-10-2-3-11(13)16-10/h2-3H,4-9,14H2,1H3.
What are the key properties of [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine?
[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 242.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 166924643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).