2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine

C16H18FNS — CID 112841842

IUPAC2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine
SMILESFc1cccc(CC2CCCN2Cc2cccs2)c1
InChIInChI=1S/C16H18FNS/c17-14-5-1-4-13(10-14)11-15-6-2-8-18(15)12-16-7-3-9-19-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2
InChIKeyXTTACGPRURWVLY-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.09
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine

2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine (PubChem CID 112841842) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine
PubChem CID112841842
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine
SMILESFc1cccc(CC2CCCN2Cc2cccs2)c1
InChIInChI=1S/C16H18FNS/c17-14-5-1-4-13(10-14)11-15-6-2-8-18(15)12-16-7-3-9-19-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2
InChIKeyXTTACGPRURWVLY-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
1-(1-(2-Thienyl)cyclohexyl)pyrrolidine
CID 62764
1-(1-(2-Benzo(b)thienyl)cyclohexyl)pyrrolidine
CID 192370
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
Thionaphthene, 2-[1-(1-pyrrolidyl)cycloheptyl]-
CID 398371
1-(1-(5-(2'-Fluoroethyl)-2-thienyl)-cyclohexyl)piperidine
CID 192646
1,2,3,6-Tetrahydro-1-[1-(2-thienyl)cyclohexyl]pyridine
CID 399892
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-thiophen-2-yl-1,2,3,6-tetrahydro-pyridine
CID 9974231
3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 54767413
3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 54767576
(3-Butyl-8-thiophen-2-yl-3-azaspiro[4.5]decan-8-yl)-dimethylamine
CID 118662291
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine (CID 112841842) is 2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine is Fc1cccc(CC2CCCN2Cc2cccs2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine?
The InChIKey is XTTACGPRURWVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c17-14-5-1-4-13(10-14)11-15-6-2-8-18(15)12-16-7-3-9-19-16/h1,3-5,7,9-10,15H,2,6,8,11-12H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine?
2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine has a molecular weight of 275.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-1-(thiophen-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 112841842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).