(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine

C13H19FN2O — CID 150837589

IUPAC(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CC[C@@H](N)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-17-9-8-16-7-6-12(15)13(16)10-2-4-11(14)5-3-10/h2-5,12-13H,6-9,15H2,1H3/t12-,13+/m1/s1
InChIKeyKNHSJTDGSFBZRD-OLZOCXBDSA-N
MW238.31 g/mol
LogP1.55
Rot. Bonds4

About (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine

(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 150837589) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID150837589
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CC[C@@H](N)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-17-9-8-16-7-6-12(15)13(16)10-2-4-11(14)5-3-10/h2-5,12-13H,6-9,15H2,1H3/t12-,13+/m1/s1
InChIKeyKNHSJTDGSFBZRD-OLZOCXBDSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 95359042
2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 115350631
(2R,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 124709830
2-(3-chloro-4-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 81159445
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine
CID 66118965
1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine
CID 66163591
2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 66163942
2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 114488972
2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 90759129
(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 178196605
2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 79972652

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 150837589) is (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine is COCCN1CC[C@@H](N)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is KNHSJTDGSFBZRD-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-9-8-16-7-6-12(15)13(16)10-2-4-11(14)5-3-10/h2-5,12-13H,6-9,15H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 150837589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).