2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol

C13H27NO4 — CID 113449126

IUPAC2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
SMILESCOCCN(CC(O)C1CCOC1)C(C)COC
InChIInChI=1S/C13H27NO4/c1-11(9-17-3)14(5-7-16-2)8-13(15)12-4-6-18-10-12/h11-13,15H,4-10H2,1-3H3
InChIKeyGINBENHUWVOYOF-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.37
Rot. Bonds9

About 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol

2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 113449126) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID113449126
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
SMILESCOCCN(CC(O)C1CCOC1)C(C)COC
InChIInChI=1S/C13H27NO4/c1-11(9-17-3)14(5-7-16-2)8-13(15)12-4-6-18-10-12/h11-13,15H,4-10H2,1-3H3
InChIKeyGINBENHUWVOYOF-UHFFFAOYSA-N
XLogP0.37
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 113449128
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745513
2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752833
N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745597
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686
1-cyclohexyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanol
CID 113449107
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745360
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
4-methoxy-1-(oxolan-3-yl)pentan-1-ol
CID 105097696
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
2-(2-methoxyethylamino)-1-(oxolan-3-yl)ethanol
CID 62773174
2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752525

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol (CID 113449126) is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol is COCCN(CC(O)C1CCOC1)C(C)COC.
What is the InChIKey of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is GINBENHUWVOYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-11(9-17-3)14(5-7-16-2)8-13(15)12-4-6-18-10-12/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol?
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 261.36 g/mol, XLogP of 0.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 113449126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).