1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol

C15H22FNO2 — CID 102880149

IUPAC1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCOc1ccc(CN2CCCC2CC(C)O)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-11(18)8-13-4-3-7-17(13)10-12-5-6-14(19-2)9-15(12)16/h5-6,9,11,13,18H,3-4,7-8,10H2,1-2H3
InChIKeyFEPVSOZFYJTEBY-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.57
Rot. Bonds5

About 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol

1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 102880149) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID102880149
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCOc1ccc(CN2CCCC2CC(C)O)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-11(18)8-13-4-3-7-17(13)10-12-5-6-14(19-2)9-15(12)16/h5-6,9,11,13,18H,3-4,7-8,10H2,1-2H3
InChIKeyFEPVSOZFYJTEBY-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 102877016
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 102877018
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072262
1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-2-carbothioamide
CID 102876775
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-propan-2-ylpiperazin-2-yl]ethanol
CID 45222201
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 114338611
1-[1-[(5-bromo-2-fluorophenyl)methyl]azepan-2-yl]propan-2-ol
CID 114338762
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115771061
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82981783
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol (CID 102880149) is 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol is COc1ccc(CN2CCCC2CC(C)O)c(F)c1.
What is the InChIKey of 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is FEPVSOZFYJTEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(18)8-13-4-3-7-17(13)10-12-5-6-14(19-2)9-15(12)16/h5-6,9,11,13,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol?
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 267.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 102880149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).