1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine

C18H20FN — CID 10614560

IUPAC1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccccc1CC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20FN/c19-18-9-5-4-8-17(18)12-16-10-11-20(14-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeySQWBORNRKACSNA-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.89
Rot. Bonds4

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

1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine (PubChem CID 10614560) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
PubChem CID10614560
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccccc1CC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20FN/c19-18-9-5-4-8-17(18)12-16-10-11-20(14-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeySQWBORNRKACSNA-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 71321687
4-[(1-benzylpyrrolidin-3-yl)methyl]benzene-1,3-diol
CID 123562448
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208
[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrate;dihydrochloride
CID 90647197
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-benzyl-3-propylpyrrolidine
CID 12648211
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
1-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-(2-fluorophenyl)ethanone
CID 59028253
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-2-(2-fluorophenyl)ethanone
CID 67047291

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine (CID 10614560) is 1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine is Fc1ccccc1CC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine?
The InChIKey is SQWBORNRKACSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c19-18-9-5-4-8-17(18)12-16-10-11-20(14-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2.
What are the key properties of 1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine?
1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine has a molecular weight of 269.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 10614560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).