(3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine

C13H19FN2O — CID 71014368

IUPAC(3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine
SMILESCOC(C[C@@H]1CNC[C@H]1N)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-17-13(6-10-7-16-8-12(10)15)9-2-4-11(14)5-3-9/h2-5,10,12-13,16H,6-8,15H2,1H3/t10-,12-,13?/m1/s1
InChIKeyCOYYNQQDOYVPMC-HLVWMGJTSA-N
MW238.31 g/mol
LogP1.45
Rot. Bonds4

About (3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine

(3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine (PubChem CID 71014368) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine
PubChem CID71014368
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine
SMILESCOC(C[C@@H]1CNC[C@H]1N)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-17-13(6-10-7-16-8-12(10)15)9-2-4-11(14)5-3-9/h2-5,10,12-13,16H,6-8,15H2,1H3/t10-,12-,13?/m1/s1
InChIKeyCOYYNQQDOYVPMC-HLVWMGJTSA-N
XLogP1.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine (CID 71014368) is (3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine is COC(C[C@@H]1CNC[C@H]1N)c1ccc(F)cc1.
What is the InChIKey of (3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine?
The InChIKey is COYYNQQDOYVPMC-HLVWMGJTSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-13(6-10-7-16-8-12(10)15)9-2-4-11(14)5-3-9/h2-5,10,12-13,16H,6-8,15H2,1H3/t10-,12-,13?/m1/s1.
What are the key properties of (3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine?
(3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-3-amine is sourced from PubChem (CID 71014368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).