4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine

C7H15FN2O — CID 142528473

IUPAC4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine
SMILESCOCC1(F)CN(C)CC1N
InChIInChI=1S/C7H15FN2O/c1-10-3-6(9)7(8,4-10)5-11-2/h6H,3-5,9H2,1-2H3
InChIKeyIIJIBEOAEQHAOP-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.39
Rot. Bonds2

About 4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine

4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine (PubChem CID 142528473) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine
PubChem CID142528473
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine
SMILESCOCC1(F)CN(C)CC1N
InChIInChI=1S/C7H15FN2O/c1-10-3-6(9)7(8,4-10)5-11-2/h6H,3-5,9H2,1-2H3
InChIKeyIIJIBEOAEQHAOP-UHFFFAOYSA-N
XLogP-0.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-4-(methoxymethyl)pyrrolidine-1,3-diamine
CID 137489571
4-Fluoro-4-(methoxymethyl)pyrrolidin-3-amine
CID 146364486
4,4,4-Trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 64568824
3,3,3-Trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 64568829
4,4,4-Trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine
CID 64569234
1,1,1-Trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine
CID 64571035
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64584011
3-(Difluoromethoxymethyl)-1-methylpyrrolidin-3-amine
CID 84718345
4-(Methoxymethyl)pyrrolidin-3-amine
CID 15023856
(3R,4R)-4-(methoxymethyl)pyrrolidin-3-amine
CID 92981344
(3R,4S)-4-(methoxymethyl)pyrrolidin-3-amine
CID 92981345
(3R,4S)-4-(methoxymethyl)-N-methylpyrrolidin-3-amine
CID 132215009

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine (CID 142528473) is 4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine is COCC1(F)CN(C)CC1N.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is IIJIBEOAEQHAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-10-3-6(9)7(8,4-10)5-11-2/h6H,3-5,9H2,1-2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine?
4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 162.21 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 142528473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).