2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol

C14H21NO3 — CID 117381555

IUPAC2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
SMILESCOc1cc(N2CCCC2)c(OC)cc1CCO
InChIInChI=1S/C14H21NO3/c1-17-13-10-12(15-6-3-4-7-15)14(18-2)9-11(13)5-8-16/h9-10,16H,3-8H2,1-2H3
InChIKeyVSRSPDAXRDBHIR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.84
Rot. Bonds5

About 2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol

2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol (PubChem CID 117381555) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
PubChem CID117381555
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
SMILESCOc1cc(N2CCCC2)c(OC)cc1CCO
InChIInChI=1S/C14H21NO3/c1-17-13-10-12(15-6-3-4-7-15)14(18-2)9-11(13)5-8-16/h9-10,16H,3-8H2,1-2H3
InChIKeyVSRSPDAXRDBHIR-UHFFFAOYSA-N
XLogP1.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117415704
3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
CID 117446608
4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
CID 117492352
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine
CID 117420098
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 66516038
2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)ethanol
CID 77130562
2-[2,5-dimethoxy-4-(1,3-thiazolidin-3-yl)phenyl]ethanamine
CID 171534609
2-(4-imidazolidin-1-yl-2,5-dimethoxyphenyl)ethanamine
CID 171534506
2-(5-methyl-2-piperidin-1-ylphenyl)ethanol
CID 117313218
1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117472207
3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-3-methylbutanoic acid
CID 117492377

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol?
The IUPAC name of 2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol (CID 117381555) is 2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol.
What is the SMILES notation for 2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol?
The canonical SMILES for 2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol is COc1cc(N2CCCC2)c(OC)cc1CCO.
What is the InChIKey of 2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol?
The InChIKey is VSRSPDAXRDBHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-13-10-12(15-6-3-4-7-15)14(18-2)9-11(13)5-8-16/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol?
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol is sourced from PubChem (CID 117381555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).