(3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol

C21H27NO2 — CID 10594780

IUPAC(3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol
SMILESCN1C[C@H](O)C[C@H]1CCOc1ccccc1CCc1ccccc1
InChIInChI=1S/C21H27NO2/c1-22-16-20(23)15-19(22)13-14-24-21-10-6-5-9-18(21)12-11-17-7-3-2-4-8-17/h2-10,19-20,23H,11-16H2,1H3/t19-,20-/m1/s1
InChIKeyRJLLPPRLPKUFHF-WOJBJXKFSA-N
MW325.45 g/mol
LogP3.31
Rot. Bonds7

About (3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol

(3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol (PubChem CID 10594780) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol
PubChem CID10594780
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol
SMILESCN1C[C@H](O)C[C@H]1CCOc1ccccc1CCc1ccccc1
InChIInChI=1S/C21H27NO2/c1-22-16-20(23)15-19(22)13-14-24-21-10-6-5-9-18(21)12-11-17-7-3-2-4-8-17/h2-10,19-20,23H,11-16H2,1H3/t19-,20-/m1/s1
InChIKeyRJLLPPRLPKUFHF-WOJBJXKFSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol;hydrochloride
CID 67584157
(3R,5R)-1-methyl-5-[2-[5-methyl-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride
CID 67660121
(3R,5R)-5-[2-[2-[2-(3,4-dichlorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol
CID 139719859
(3R,5R)-5-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol;hydrochloride
CID 139719968
ethyl (2R,4R)-4-hydroxy-2-[2-[2-[2-(3-methylphenyl)ethyl]phenoxy]ethyl]pyrrolidine-1-carboxylate
CID 139719887
[(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-yl] phenyl carbonate
CID 10553785
(2R,4R)-2-[2-[2-[2-[3-methoxy-4-(methoxymethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methyl-4-phenylmethoxypyrrolidine
CID 139719971
ethyl (2S,4R)-4-hydroxy-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]pyrrolidine-1-carboxylate
CID 10597843
ethyl (2R,4S)-4-hydroxy-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]pyrrolidine-1-carboxylate
CID 11796001
[(3R,5R)-5-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-yl] acetate
CID 139719881
ethyl (2R,4R)-2-[2-[2-[2-[3-(difluoromethoxy)phenyl]ethyl]phenoxy]ethyl]-4-hydroxypyrrolidine-1-carboxylate
CID 139719978
1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
CID 57497614

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol (CID 10594780) is (3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol is CN1C[C@H](O)C[C@H]1CCOc1ccccc1CCc1ccccc1.
What is the InChIKey of (3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol?
The InChIKey is RJLLPPRLPKUFHF-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H27NO2/c1-22-16-20(23)15-19(22)13-14-24-21-10-6-5-9-18(21)12-11-17-7-3-2-4-8-17/h2-10,19-20,23H,11-16H2,1H3/t19-,20-/m1/s1.
What are the key properties of (3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol?
(3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol has a molecular weight of 325.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-methyl-5-[2-[2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 10594780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).