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

C18H20FNO — CID 20895836

IUPAC1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2Cc2cccc(F)c2)cc1
InChIInChI=1S/C18H20FNO/c1-21-17-9-7-15(8-10-17)18-6-3-11-20(18)13-14-4-2-5-16(19)12-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3
InChIKeyZYLSCHGUTDWXFM-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.17
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine (PubChem CID 20895836) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
PubChem CID20895836
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2Cc2cccc(F)c2)cc1
InChIInChI=1S/C18H20FNO/c1-21-17-9-7-15(8-10-17)18-6-3-11-20(18)13-14-4-2-5-16(19)12-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3
InChIKeyZYLSCHGUTDWXFM-UHFFFAOYSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
2-(4-methoxyphenyl)-1-[(3-nitrophenyl)methyl]pyrrolidine
CID 46266484
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
(1R,4aR,8aS)-2-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 2009858
4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide
CID 92640580
1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 87013517
(2S)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878125
(2R)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878124

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine (CID 20895836) is 1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine is COc1ccc(C2CCCN2Cc2cccc(F)c2)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine?
The InChIKey is ZYLSCHGUTDWXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-21-17-9-7-15(8-10-17)18-6-3-11-20(18)13-14-4-2-5-16(19)12-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine?
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine has a molecular weight of 285.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 20895836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).