2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol

C13H19NO2 — CID 82080040

IUPAC2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
SMILESCOc1cccc(CC(O)C2CCCN2)c1
InChIInChI=1S/C13H19NO2/c1-16-11-5-2-4-10(8-11)9-13(15)12-6-3-7-14-12/h2,4-5,8,12-15H,3,6-7,9H2,1H3
InChIKeyNRVZQOILCITYFS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.35
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol

2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol (PubChem CID 82080040) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
PubChem CID82080040
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
SMILESCOc1cccc(CC(O)C2CCCN2)c1
InChIInChI=1S/C13H19NO2/c1-16-11-5-2-4-10(8-11)9-13(15)12-6-3-7-14-12/h2,4-5,8,12-15H,3,6-7,9H2,1H3
InChIKeyNRVZQOILCITYFS-UHFFFAOYSA-N
XLogP1.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol
CID 142625617
2-(3-methoxyphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 113299385
2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine
CID 105499373
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 135313109
1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
CID 63354159
1-(4-cyclopropylphenyl)-2-(3-methoxyphenyl)ethanol
CID 79980257
1-[(3-methoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64858406
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol?
The IUPAC name of 2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol (CID 82080040) is 2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol is COc1cccc(CC(O)C2CCCN2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol?
The InChIKey is NRVZQOILCITYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-11-5-2-4-10(8-11)9-13(15)12-6-3-7-14-12/h2,4-5,8,12-15H,3,6-7,9H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol?
2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol has a molecular weight of 221.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 82080040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).