[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol

C13H18FNO2 — CID 104794526

IUPAC[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1cccc(CN2CCC[C@@H]2CO)c1F
InChIInChI=1S/C13H18FNO2/c1-17-12-6-2-4-10(13(12)14)8-15-7-3-5-11(15)9-16/h2,4,6,11,16H,3,5,7-9H2,1H3/t11-/m1/s1
InChIKeyBWADZKVARIPNIJ-LLVKDONJSA-N
MW239.29 g/mol
LogP1.79
Rot. Bonds4

About [(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 104794526) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID104794526
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1cccc(CN2CCC[C@@H]2CO)c1F
InChIInChI=1S/C13H18FNO2/c1-17-12-6-2-4-10(13(12)14)8-15-7-3-5-11(15)9-16/h2,4,6,11,16H,3,5,7-9H2,1H3/t11-/m1/s1
InChIKeyBWADZKVARIPNIJ-LLVKDONJSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
3-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 104792731
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 104792400
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
1-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104792772
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
2-fluoro-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarbothioamide
CID 107115714
(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 124625332

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol (CID 104794526) is [(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol is COc1cccc(CN2CCC[C@@H]2CO)c1F.
What is the InChIKey of [(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is BWADZKVARIPNIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-12-6-2-4-10(13(12)14)8-15-7-3-5-11(15)9-16/h2,4,6,11,16H,3,5,7-9H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 239.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 104794526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).