2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine

C13H27FN2O — CID 153298786

IUPAC2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine
SMILESC[C@@H]1[C@H](OCCN(C)C)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C13H27FN2O/c1-10-12(17-8-7-15(5)6)11(14)9-16(10)13(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11+,12+/m1/s1
InChIKeyWGEQZJJZNYLJCI-WOPDTQHZSA-N
MW246.37 g/mol
LogP1.77
Rot. Bonds4

About 2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine

2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 153298786) has the molecular formula C13H27FN2O and a molecular weight of 246.37 g/mol. Its IUPAC name is 2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine
PubChem CID153298786
Molecular FormulaC13H27FN2O
Molecular Weight246.37 g/mol
Exact Mass246.21
IUPAC Name2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine
SMILESC[C@@H]1[C@H](OCCN(C)C)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C13H27FN2O/c1-10-12(17-8-7-15(5)6)11(14)9-16(10)13(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11+,12+/m1/s1
InChIKeyWGEQZJJZNYLJCI-WOPDTQHZSA-N
XLogP1.77
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine (CID 153298786) is 2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine is C[C@@H]1[C@H](OCCN(C)C)[C@@H](F)CN1C(C)(C)C.
What is the InChIKey of 2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine?
The InChIKey is WGEQZJJZNYLJCI-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H27FN2O/c1-10-12(17-8-7-15(5)6)11(14)9-16(10)13(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11+,12+/m1/s1.
What are the key properties of 2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine?
2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 246.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4S)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 153298786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).