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

C13H20N2O — CID 89188602

IUPAC(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
SMILESCOCCN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C13H20N2O/c1-16-8-7-15-9-12(13(14)10-15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3/t12-,13+/m0/s1
InChIKeyUIUYSXXWKSJSNW-QWHCGFSZSA-N
MW220.32 g/mol
LogP1.06
Rot. Bonds4

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

(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine (PubChem CID 89188602) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
PubChem CID89188602
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
SMILESCOCCN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C13H20N2O/c1-16-8-7-15-9-12(13(14)10-15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3/t12-,13+/m0/s1
InChIKeyUIUYSXXWKSJSNW-QWHCGFSZSA-N
XLogP1.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine
CID 86283678
(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine
CID 101077579
(3S,4R)-1-[2-(2-ethoxyphenoxy)ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760721
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566
(3S,4R)-1-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770232
1-(2-methoxyethyl)-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine;dihydrochloride
CID 89188767
1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188709
(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188707
[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
CID 144628967
methyl 4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylbutanoate
CID 120846805
(3S,4R)-1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770211

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine (CID 89188602) is (3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine is COCCN1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine?
The InChIKey is UIUYSXXWKSJSNW-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-8-7-15-9-12(13(14)10-15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,14H2,1H3/t12-,13+/m0/s1.
What are the key properties of (3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 89188602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).