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

C13H19FN2O — CID 71014367

IUPAC(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1C[C@@H](N)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C13H19FN2O/c1-17-7-6-16-8-12(13(15)9-16)10-2-4-11(14)5-3-10/h2-5,12-13H,6-9,15H2,1H3/t12-,13+/m0/s1
InChIKeyQTQZQIYWGIQHHR-QWHCGFSZSA-N
MW238.31 g/mol
LogP1.20
Rot. Bonds4

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

(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 71014367) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID71014367
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1C[C@@H](N)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C13H19FN2O/c1-17-7-6-16-8-12(13(15)9-16)10-2-4-11(14)5-3-10/h2-5,12-13H,6-9,15H2,1H3/t12-,13+/m0/s1
InChIKeyQTQZQIYWGIQHHR-QWHCGFSZSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 71014367) is (3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine is COCCN1C[C@@H](N)[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is QTQZQIYWGIQHHR-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-7-6-16-8-12(13(15)9-16)10-2-4-11(14)5-3-10/h2-5,12-13H,6-9,15H2,1H3/t12-,13+/m0/s1.
What are the key properties of (3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71014367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).