2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol

C10H21NO4 — CID 103536895

IUPAC2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol
SMILESCOC1CN(CCOCCO)CC1OC
InChIInChI=1S/C10H21NO4/c1-13-9-7-11(8-10(9)14-2)3-5-15-6-4-12/h9-10,12H,3-8H2,1-2H3
InChIKeyLTRIQETXYJWBEF-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.66
Rot. Bonds7

About 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol

2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol (PubChem CID 103536895) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol
PubChem CID103536895
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol
SMILESCOC1CN(CCOCCO)CC1OC
InChIInChI=1S/C10H21NO4/c1-13-9-7-11(8-10(9)14-2)3-5-15-6-4-12/h9-10,12H,3-8H2,1-2H3
InChIKeyLTRIQETXYJWBEF-UHFFFAOYSA-N
XLogP-0.66
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Propanol, 1-butoxy-3-(diethylamino)-
CID 208770
alpha-((2-Methylpropoxy)methyl)pyrrolidine-1-ethanol
CID 6452140
2,2'-{(Butylazanediyl)bis[(ethane-2,1-diyl)oxy]}di(ethan-1-ol)
CID 13628126
1-Propan-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 15832495
1-(Diethylamino)-3-propoxypropan-2-ol
CID 3448301
(S)-2-(2-(3-fluoropyrrolidin-1-yl)ethoxy)ethanol
CID 69671666
2-[2-(3-Fluoropyrrolidin-1-yl)ethoxy]ethanol
CID 69671672
2-[(3R)-3-(2-fluoroethoxy)-1-pyrrolidinyl]ethanol
CID 86614897
3-Butoxy-1-pyrrolidinylpropan-2-ol
CID 3146693
17-Ethyl-1,4,7,10,13-pentaoxa-17-azacycloicosane-15,19-diol
CID 13128589
1-(2,5-Dimethyl-1,3-oxazolidin-3-yl)propan-2-ol
CID 69782437
1-Butoxy-3-(dibutylamino)propan-2-ol
CID 3040149

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol (CID 103536895) is 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol is COC1CN(CCOCCO)CC1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol?
The InChIKey is LTRIQETXYJWBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-13-9-7-11(8-10(9)14-2)3-5-15-6-4-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol?
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol has a molecular weight of 219.28 g/mol, XLogP of -0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol is sourced from PubChem (CID 103536895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).