3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine

C17H26FNO — CID 54050589

IUPAC3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine
SMILESCCCCCN1CCC(COCc2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO/c1-2-3-4-10-19-11-9-16(12-19)14-20-13-15-5-7-17(18)8-6-15/h5-8,16H,2-4,9-14H2,1H3
InChIKeyLSPJIOFBGIZOJY-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.85
Rot. Bonds8

About 3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine

3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine (PubChem CID 54050589) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine
PubChem CID54050589
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine
SMILESCCCCCN1CCC(COCc2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO/c1-2-3-4-10-19-11-9-16(12-19)14-20-13-15-5-7-17(18)8-6-15/h5-8,16H,2-4,9-14H2,1H3
InChIKeyLSPJIOFBGIZOJY-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
methyl 5-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]furan-2-carboxylate;oxalic acid
CID 71784907
1-(4-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 64597984
3-benzyl-1-octylpyrrolidine
CID 58576677
3-butyl-1-hexylpyrrolidine
CID 171570679
3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine
CID 122158319
1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
CID 67834138
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
1-octyl-3-propylpyrrolidine;hydrochloride
CID 175874915
2-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine;oxalic acid
CID 71784909
1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol
CID 111489054
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine?
The IUPAC name of 3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine (CID 54050589) is 3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine?
The canonical SMILES for 3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine is CCCCCN1CCC(COCc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine?
The InChIKey is LSPJIOFBGIZOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-2-3-4-10-19-11-9-16(12-19)14-20-13-15-5-7-17(18)8-6-15/h5-8,16H,2-4,9-14H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine?
3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine has a molecular weight of 279.40 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxymethyl]-1-pentylpyrrolidine is sourced from PubChem (CID 54050589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).