2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol

C17H27NO2 — CID 64597263

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCOCC1CCN(CC(O)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C17H27NO2/c1-12-7-13(2)17(14(3)8-12)16(19)10-18-6-5-15(9-18)11-20-4/h7-8,15-16,19H,5-6,9-11H2,1-4H3
InChIKeyXHOVKMZACMFOFN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.61
Rot. Bonds5

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol

2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 64597263) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID64597263
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCOCC1CCN(CC(O)c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C17H27NO2/c1-12-7-13(2)17(14(3)8-12)16(19)10-18-6-5-15(9-18)11-20-4/h7-8,15-16,19H,5-6,9-11H2,1-4H3
InChIKeyXHOVKMZACMFOFN-UHFFFAOYSA-N
XLogP2.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 64569538
1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 79037989
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 64597172
4-[1-hydroxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]benzonitrile
CID 64599116
1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64569121
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 4274670
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111476808
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078
1-(4-chlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 111118369

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol (CID 64597263) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol is COCC1CCN(CC(O)c2c(C)cc(C)cc2C)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is XHOVKMZACMFOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-7-13(2)17(14(3)8-12)16(19)10-18-6-5-15(9-18)11-20-4/h7-8,15-16,19H,5-6,9-11H2,1-4H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 64597263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).