2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine

C13H18FNO2 — CID 104792599

IUPAC2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine
SMILESCOc1cccc(COCC2CCCN2)c1F
InChIInChI=1S/C13H18FNO2/c1-16-12-6-2-4-10(13(12)14)8-17-9-11-5-3-7-15-11/h2,4,6,11,15H,3,5,7-9H2,1H3
InChIKeyLAKQKYRXRCJSOC-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.10
Rot. Bonds5

About 2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine

2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine (PubChem CID 104792599) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine
PubChem CID104792599
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine
SMILESCOc1cccc(COCC2CCCN2)c1F
InChIInChI=1S/C13H18FNO2/c1-16-12-6-2-4-10(13(12)14)8-17-9-11-5-3-7-15-11/h2,4,6,11,15H,3,5,7-9H2,1H3
InChIKeyLAKQKYRXRCJSOC-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine
CID 62333624
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632656
2-[(5-chloro-2-methoxyphenyl)methoxymethyl]piperidine
CID 55060618
2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine
CID 62334722
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
CID 86324715
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 113453577
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine (CID 104792599) is 2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine is COc1cccc(COCC2CCCN2)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine?
The InChIKey is LAKQKYRXRCJSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-12-6-2-4-10(13(12)14)8-17-9-11-5-3-7-15-11/h2,4,6,11,15H,3,5,7-9H2,1H3.
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine?
2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine has a molecular weight of 239.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 104792599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).