[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol

C15H23NO2 — CID 62046348

IUPAC[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESCc1cc(C)cc(OCCN2CCC[C@@H]2CO)c1
InChIInChI=1S/C15H23NO2/c1-12-8-13(2)10-15(9-12)18-7-6-16-5-3-4-14(16)11-17/h8-10,14,17H,3-7,11H2,1-2H3/t14-/m1/s1
InChIKeyZRSMAUXZNKOJLE-CQSZACIVSA-N
MW249.35 g/mol
LogP2.14
Rot. Bonds5

About [(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol

[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 62046348) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol
PubChem CID62046348
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESCc1cc(C)cc(OCCN2CCC[C@@H]2CO)c1
InChIInChI=1S/C15H23NO2/c1-12-8-13(2)10-15(9-12)18-7-6-16-5-3-4-14(16)11-17/h8-10,14,17H,3-7,11H2,1-2H3/t14-/m1/s1
InChIKeyZRSMAUXZNKOJLE-CQSZACIVSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid
CID 61010857
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 78942373
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
[(2R)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 62736389
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
[(2S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 79028219
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
[1-[3-(3,4-dimethylphenoxy)propyl]azepan-2-yl]methanol
CID 116637387
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
[1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 20619549

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol (CID 62046348) is [(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol is Cc1cc(C)cc(OCCN2CCC[C@@H]2CO)c1.
What is the InChIKey of [(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is ZRSMAUXZNKOJLE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-8-13(2)10-15(9-12)18-7-6-16-5-3-4-14(16)11-17/h8-10,14,17H,3-7,11H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62046348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).