2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol

C16H25NO2 — CID 111490186

IUPAC2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
SMILESCOCCCN1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-19-12-6-11-17-10-5-9-15(17)13-16(18)14-7-3-2-4-8-14/h2-4,7-8,15-16,18H,5-6,9-13H2,1H3
InChIKeyOPSWPJPUOMPYKV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds7

About 2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol

2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol (PubChem CID 111490186) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
PubChem CID111490186
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
SMILESCOCCCN1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-19-12-6-11-17-10-5-9-15(17)13-16(18)14-7-3-2-4-8-14/h2-4,7-8,15-16,18H,5-6,9-13H2,1H3
InChIKeyOPSWPJPUOMPYKV-UHFFFAOYSA-N
XLogP2.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanenitrile
CID 111490109
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
3-[2-(2-hydroxy-2-phenylethyl)azepan-1-yl]propanoic acid;hydrochloride
CID 119934761
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 71869510
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 111490245
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 111490219
(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 100859490
2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-sulfonamide
CID 71989179
(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
CID 70591371
5-[[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 125136210
2-(1-methyl-6-phenylpiperidin-2-yl)-1-phenylethanol
CID 70540871

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol?
The IUPAC name of 2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol (CID 111490186) is 2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol is COCCCN1CCCC1CC(O)c1ccccc1.
What is the InChIKey of 2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol?
The InChIKey is OPSWPJPUOMPYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-19-12-6-11-17-10-5-9-15(17)13-16(18)14-7-3-2-4-8-14/h2-4,7-8,15-16,18H,5-6,9-13H2,1H3.
What are the key properties of 2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol?
2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol has a molecular weight of 263.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 111490186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).