[5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine

C17H25FN2O — CID 117472352

IUPAC[5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cc(F)cc(OCC2CCC2)c1
InChIInChI=1S/C17H25FN2O/c1-20-10-13(9-19)5-17(20)14-6-15(18)8-16(7-14)21-11-12-3-2-4-12/h6-8,12-13,17H,2-5,9-11,19H2,1H3
InChIKeyJEZLSEHPEXPHMI-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.96
Rot. Bonds5

About [5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117472352) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is [5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117472352
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name[5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cc(F)cc(OCC2CCC2)c1
InChIInChI=1S/C17H25FN2O/c1-20-10-13(9-19)5-17(20)14-6-15(18)8-16(7-14)21-11-12-3-2-4-12/h6-8,12-13,17H,2-5,9-11,19H2,1H3
InChIKeyJEZLSEHPEXPHMI-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117472352) is [5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1cc(F)cc(OCC2CCC2)c1.
What is the InChIKey of [5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is JEZLSEHPEXPHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-20-10-13(9-19)5-17(20)14-6-15(18)8-16(7-14)21-11-12-3-2-4-12/h6-8,12-13,17H,2-5,9-11,19H2,1H3.
What are the key properties of [5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 292.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117472352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).