[5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

C14H21FN2O — CID 117384325

IUPAC[5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOCc1ccc(C2CC(CN)CN2C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-17-8-11(7-16)6-14(17)12-4-3-10(9-18-2)5-13(12)15/h3-5,11,14H,6-9,16H2,1-2H3
InChIKeyAYCFGGPBAHHRCX-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.92
Rot. Bonds4

About [5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117384325) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117384325
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOCc1ccc(C2CC(CN)CN2C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-17-8-11(7-16)6-14(17)12-4-3-10(9-18-2)5-13(12)15/h3-5,11,14H,6-9,16H2,1-2H3
InChIKeyAYCFGGPBAHHRCX-UHFFFAOYSA-N
XLogP1.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorophenol
CID 117322190
[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117341076
[5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117429058
[5-(4-ethoxy-2-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117384340
[5-(5-chloro-2,4-difluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117406206
[5-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117490084
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
[1-methyl-5-(2,4,5-trifluoro-3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117117215
[5-(5-bromo-2,4-difluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117490471
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-difluorophenol
CID 117357612
[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117425636
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4-fluoro-5-methoxyphenol
CID 117389235

Frequently Asked Questions

What is the IUPAC name of [5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117384325) is [5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is COCc1ccc(C2CC(CN)CN2C)c(F)c1.
What is the InChIKey of [5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is AYCFGGPBAHHRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-17-8-11(7-16)6-14(17)12-4-3-10(9-18-2)5-13(12)15/h3-5,11,14H,6-9,16H2,1-2H3.
What are the key properties of [5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117384325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).