2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol

C15H23NO2 — CID 115688624

IUPAC2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
SMILESCCC1CCN(CC(O)c2cccc(OC)c2)C1
InChIInChI=1S/C15H23NO2/c1-3-12-7-8-16(10-12)11-15(17)13-5-4-6-14(9-13)18-2/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3
InChIKeyCHGLZSDMEBXEHP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.46
Rot. Bonds5

About 2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol

2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol (PubChem CID 115688624) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
PubChem CID115688624
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
SMILESCCC1CCN(CC(O)c2cccc(OC)c2)C1
InChIInChI=1S/C15H23NO2/c1-3-12-7-8-16(10-12)11-15(17)13-5-4-6-14(9-13)18-2/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3
InChIKeyCHGLZSDMEBXEHP-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol
CID 111565328
1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
CID 115688534
2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol
CID 115666571
2-(3-ethylpyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115688548
1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
CID 111436470
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 111379146

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol (CID 115688624) is 2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol is CCC1CCN(CC(O)c2cccc(OC)c2)C1.
What is the InChIKey of 2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol?
The InChIKey is CHGLZSDMEBXEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-12-7-8-16(10-12)11-15(17)13-5-4-6-14(9-13)18-2/h4-6,9,12,15,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol?
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 115688624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).