2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine

C20H24FNO — CID 20895915

IUPAC2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
SMILESCCCOc1ccc(CN2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO/c1-2-14-23-19-11-5-16(6-12-19)15-22-13-3-4-20(22)17-7-9-18(21)10-8-17/h5-12,20H,2-4,13-15H2,1H3
InChIKeyYYXXAZGHOKZGPJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.95
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine

2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine (PubChem CID 20895915) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
PubChem CID20895915
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
SMILESCCCOc1ccc(CN2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO/c1-2-14-23-19-11-5-16(6-12-19)15-22-13-3-4-20(22)17-7-9-18(21)10-8-17/h5-12,20H,2-4,13-15H2,1H3
InChIKeyYYXXAZGHOKZGPJ-UHFFFAOYSA-N
XLogP4.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 131949920
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide
CID 56890613
(2R)-1-[(4-propoxyphenyl)methyl]-2-thiophen-2-ylazepane
CID 92878166
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine
CID 90895663
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
5-[1-[(4-butoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096313
1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 77094517

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine (CID 20895915) is 2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine is CCCOc1ccc(CN2CCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine?
The InChIKey is YYXXAZGHOKZGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-2-14-23-19-11-5-16(6-12-19)15-22-13-3-4-20(22)17-7-9-18(21)10-8-17/h5-12,20H,2-4,13-15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine?
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine has a molecular weight of 313.42 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 20895915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).