2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine

C16H22FNO — CID 117413305

IUPAC2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine
SMILESCC1(c2cc(F)cc(OCC3CCC3)c2)CCCN1
InChIInChI=1S/C16H22FNO/c1-16(6-3-7-18-16)13-8-14(17)10-15(9-13)19-11-12-4-2-5-12/h8-10,12,18H,2-7,11H2,1H3
InChIKeyUXZBKPUSOFKRCY-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.60
Rot. Bonds4

About 2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine

2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine (PubChem CID 117413305) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine
PubChem CID117413305
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine
SMILESCC1(c2cc(F)cc(OCC3CCC3)c2)CCCN1
InChIInChI=1S/C16H22FNO/c1-16(6-3-7-18-16)13-8-14(17)10-15(9-13)19-11-12-4-2-5-12/h8-10,12,18H,2-7,11H2,1H3
InChIKeyUXZBKPUSOFKRCY-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine
CID 117444778
2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine
CID 117449114
2-(3-fluoro-5-methylphenyl)-2-methylazepane
CID 79704728
1-(3-chloroprop-1-ynyl)-3-(cyclobutylmethoxy)-5-fluorobenzene
CID 81326207
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone
CID 84687564
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
2-(4-cyclopentyloxyphenyl)-2-methylpyrrolidine
CID 117366157
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
CID 117382059
1-(4-chlorobut-1-ynyl)-3-(cyclobutylmethoxy)-5-fluorobenzene
CID 81326215
1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol
CID 117478635
3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 81326455
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine (CID 117413305) is 2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine is CC1(c2cc(F)cc(OCC3CCC3)c2)CCCN1.
What is the InChIKey of 2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine?
The InChIKey is UXZBKPUSOFKRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-16(6-3-7-18-16)13-8-14(17)10-15(9-13)19-11-12-4-2-5-12/h8-10,12,18H,2-7,11H2,1H3.
What are the key properties of 2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine?
2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine has a molecular weight of 263.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117413305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).