3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol

C13H19NO — CID 84673587

IUPAC3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol
SMILESCN1CCCC1CCc1cccc(O)c1
InChIInChI=1S/C13H19NO/c1-14-9-3-5-12(14)8-7-11-4-2-6-13(15)10-11/h2,4,6,10,12,15H,3,5,7-9H2,1H3
InChIKeyINDWGBHNVINSRY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.42
Rot. Bonds3

About 3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol

3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol (PubChem CID 84673587) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol
PubChem CID84673587
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol
SMILESCN1CCCC1CCc1cccc(O)c1
InChIInChI=1S/C13H19NO/c1-14-9-3-5-12(14)8-7-11-4-2-6-13(15)10-11/h2,4,6,10,12,15H,3,5,7-9H2,1H3
InChIKeyINDWGBHNVINSRY-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-tert-butylphenyl)methyl-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]amino]methyl]phenol
CID 10177825
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
4-[[(2S)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 95706816
3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol
CID 164641718
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979279
1-[(2R)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 95477017
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 15896863
2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine
CID 95804418
3-[3-(2-methylpiperidin-1-yl)propyl]phenol
CID 82187955
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 139829326
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol?
The IUPAC name of 3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol (CID 84673587) is 3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol.
What is the SMILES notation for 3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol?
The canonical SMILES for 3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol is CN1CCCC1CCc1cccc(O)c1.
What is the InChIKey of 3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol?
The InChIKey is INDWGBHNVINSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-9-3-5-12(14)8-7-11-4-2-6-13(15)10-11/h2,4,6,10,12,15H,3,5,7-9H2,1H3.
What are the key properties of 3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol?
3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol is sourced from PubChem (CID 84673587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).