5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol

C13H19NO2 — CID 82974711

IUPAC5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
SMILESCOc1ccc(C(C)N2CCCC2)c(O)c1
InChIInChI=1S/C13H19NO2/c1-10(14-7-3-4-8-14)12-6-5-11(16-2)9-13(12)15/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyAMVORMGSEPQNJY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.56
Rot. Bonds3

About 5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol

5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol (PubChem CID 82974711) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol.

Molecular Properties

Compound Name5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
PubChem CID82974711
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
SMILESCOc1ccc(C(C)N2CCCC2)c(O)c1
InChIInChI=1S/C13H19NO2/c1-10(14-7-3-4-8-14)12-6-5-11(16-2)9-13(12)15/h5-6,9-10,15H,3-4,7-8H2,1-2H3
InChIKeyAMVORMGSEPQNJY-UHFFFAOYSA-N
XLogP2.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
CID 102969245
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82979886
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82982908
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447
1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine
CID 175883284
5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867
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-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82978518
2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol
CID 82974186

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol?
The IUPAC name of 5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol (CID 82974711) is 5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol.
What is the SMILES notation for 5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol?
The canonical SMILES for 5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol is COc1ccc(C(C)N2CCCC2)c(O)c1.
What is the InChIKey of 5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol?
The InChIKey is AMVORMGSEPQNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(14-7-3-4-8-14)12-6-5-11(16-2)9-13(12)15/h5-6,9-10,15H,3-4,7-8H2,1-2H3.
What are the key properties of 5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol?
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol has a molecular weight of 221.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol is sourced from PubChem (CID 82974711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).