3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine

C12H16FNO — CID 84780627

IUPAC3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(F)cc(CC2CCNC2)c1
InChIInChI=1S/C12H16FNO/c1-15-12-6-10(5-11(13)7-12)4-9-2-3-14-8-9/h5-7,9,14H,2-4,8H2,1H3
InChIKeyUYFQEFHPJIGBOF-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.99
Rot. Bonds3

About 3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine

3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine (PubChem CID 84780627) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
PubChem CID84780627
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(F)cc(CC2CCNC2)c1
InChIInChI=1S/C12H16FNO/c1-15-12-6-10(5-11(13)7-12)4-9-2-3-14-8-9/h5-7,9,14H,2-4,8H2,1H3
InChIKeyUYFQEFHPJIGBOF-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84677033
3-[(3,5-difluorophenyl)methyl]azepane
CID 105411836
3-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 84802170
4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117377205
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride
CID 67000199
3-[(3-chloro-5-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 84802159
3-[(2-chloro-5-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84802168
3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 114262773
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
3-[(3-bromo-4-fluoro-5-methylphenyl)methyl]pyrrolidine
CID 84809637

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine (CID 84780627) is 3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine is COc1cc(F)cc(CC2CCNC2)c1.
What is the InChIKey of 3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is UYFQEFHPJIGBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-12-6-10(5-11(13)7-12)4-9-2-3-14-8-9/h5-7,9,14H,2-4,8H2,1H3.
What are the key properties of 3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine?
3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84780627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).