2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol

C15H23NO2 — CID 82979886

IUPAC2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)N2CCCC2(C)C)c(O)c1
InChIInChI=1S/C15H23NO2/c1-11(16-9-5-8-15(16,2)3)13-7-6-12(18-4)10-14(13)17/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeySPSKALJOHHALNT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.34
Rot. Bonds3

About 2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol

2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol (PubChem CID 82979886) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
PubChem CID82979886
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)N2CCCC2(C)C)c(O)c1
InChIInChI=1S/C15H23NO2/c1-11(16-9-5-8-15(16,2)3)13-7-6-12(18-4)10-14(13)17/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeySPSKALJOHHALNT-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82982908
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442
2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol
CID 104584163
2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
CID 82980642
2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82956837
5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
CID 102969245
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82978518
2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol
CID 82974186
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol (CID 82979886) is 2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol is COc1ccc(C(C)N2CCCC2(C)C)c(O)c1.
What is the InChIKey of 2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
The InChIKey is SPSKALJOHHALNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(16-9-5-8-15(16,2)3)13-7-6-12(18-4)10-14(13)17/h6-7,10-11,17H,5,8-9H2,1-4H3.
What are the key properties of 2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol has a molecular weight of 249.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol is sourced from PubChem (CID 82979886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).