4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol

C15H23NO2 — CID 82983373

IUPAC4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N2CCC(C)(C)C2)ccc1O
InChIInChI=1S/C15H23NO2/c1-11(16-8-7-15(2,3)10-16)12-5-6-13(17)14(9-12)18-4/h5-6,9,11,17H,7-8,10H2,1-4H3
InChIKeyPDKJMZBRHXFTBO-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.19
Rot. Bonds3

About 4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol

4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol (PubChem CID 82983373) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol
PubChem CID82983373
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N2CCC(C)(C)C2)ccc1O
InChIInChI=1S/C15H23NO2/c1-11(16-8-7-15(2,3)10-16)12-5-6-13(17)14(9-12)18-4/h5-6,9,11,17H,7-8,10H2,1-4H3
InChIKeyPDKJMZBRHXFTBO-UHFFFAOYSA-N
XLogP3.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
2-[1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659999
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82978311
1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334
4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol
CID 82986575
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597
2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171
2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol
CID 82957217
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65064604

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol (CID 82983373) is 4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol is COc1cc(C(C)N2CCC(C)(C)C2)ccc1O.
What is the InChIKey of 4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol?
The InChIKey is PDKJMZBRHXFTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(16-8-7-15(2,3)10-16)12-5-6-13(17)14(9-12)18-4/h5-6,9,11,17H,7-8,10H2,1-4H3.
What are the key properties of 4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol?
4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol has a molecular weight of 249.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol is sourced from PubChem (CID 82983373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).