3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine

C15H22FN — CID 166944800

IUPAC3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine
SMILESCCC1CN(Cc2ccccc2F)CC1CC
InChIInChI=1S/C15H22FN/c1-3-12-9-17(10-13(12)4-2)11-14-7-5-6-8-15(14)16/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyVEDVUZQRYHTZER-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.69
Rot. Bonds4

About 3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine

3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine (PubChem CID 166944800) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine
PubChem CID166944800
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine
SMILESCCC1CN(Cc2ccccc2F)CC1CC
InChIInChI=1S/C15H22FN/c1-3-12-9-17(10-13(12)4-2)11-14-7-5-6-8-15(14)16/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyVEDVUZQRYHTZER-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 70704457
(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol
CID 126793647
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 78788102
1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine
CID 82114659
1-[4-[(3S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 100837858
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
(3S,5S)-1-[(2-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 56873794
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine (CID 166944800) is 3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine is CCC1CN(Cc2ccccc2F)CC1CC.
What is the InChIKey of 3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine?
The InChIKey is VEDVUZQRYHTZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-12-9-17(10-13(12)4-2)11-14-7-5-6-8-15(14)16/h5-8,12-13H,3-4,9-11H2,1-2H3.
What are the key properties of 3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine?
3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine has a molecular weight of 235.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 166944800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).