1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine

C16H24FNO — CID 91060296

IUPAC1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine
SMILESCCCOCCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C16H24FNO/c1-2-12-19-13-9-16(18-10-3-4-11-18)14-5-7-15(17)8-6-14/h5-8,16H,2-4,9-13H2,1H3
InChIKeyPRLNNMMKKCDDSR-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.78
Rot. Bonds7

About 1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine

1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine (PubChem CID 91060296) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine
PubChem CID91060296
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine
SMILESCCCOCCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C16H24FNO/c1-2-12-19-13-9-16(18-10-3-4-11-18)14-5-7-15(17)8-6-14/h5-8,16H,2-4,9-13H2,1H3
InChIKeyPRLNNMMKKCDDSR-UHFFFAOYSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-(4-fluorophenyl)-3-propoxypropyl]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

Benzenemethanaminium, N-[2-(dodecyloxy)ethyl]-N,N-dimethyl-, chloride
CID 11965151
1-[1-(4-Fluorophenyl)ethyl]pyrrolidine
CID 3954014
(3S,3aS,7aR)-1-[(2-fluorophenyl)methyl]-3-methoxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461483
8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118746817
(3R,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 15151212
4-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 13582988
(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
CID 15151214
(3S,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 101639521
(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine
CID 132530885
(2S,4R)-1-benzyl-2-(fluoromethyl)-4-methoxypyrrolidine
CID 135010272
[(2S,4S)-4-[bis(prop-2-enyl)amino]-4-(3-fluorophenyl)butan-2-yl] methanesulfonate
CID 135016786
N-benzyl-2-fluoro-N-methyl-1-(oxan-4-yl)ethanamine
CID 177853339

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine?
The IUPAC name of 1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine (CID 91060296) is 1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine is CCCOCCC(c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine?
The InChIKey is PRLNNMMKKCDDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-12-19-13-9-16(18-10-3-4-11-18)14-5-7-15(17)8-6-14/h5-8,16H,2-4,9-13H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine?
1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine has a molecular weight of 265.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-3-propoxypropyl]pyrrolidine is sourced from PubChem (CID 91060296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).