2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol

C9H19NO3 — CID 62021134

IUPAC2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
SMILESOCCN(CCO)CC1CCOC1
InChIInChI=1S/C9H19NO3/c11-4-2-10(3-5-12)7-9-1-6-13-8-9/h9,11-12H,1-8H2
InChIKeyLOUPCVJVEPZEBO-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.69
Rot. Bonds6

About 2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol

2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol (PubChem CID 62021134) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
PubChem CID62021134
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
SMILESOCCN(CCO)CC1CCOC1
InChIInChI=1S/C9H19NO3/c11-4-2-10(3-5-12)7-9-1-6-13-8-9/h9,11-12H,1-8H2
InChIKeyLOUPCVJVEPZEBO-UHFFFAOYSA-N
XLogP-0.69
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-adamantylmethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
CID 95124796
3-(bromomethyl)oxolane
CID 14173422
2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol
CID 124753968
3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile
CID 96509650
2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
CID 47053877
oxan-4-ylmethanol;oxolan-3-ylmethanol
CID 159525892
2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol
CID 61234302
3-[ethyl(oxolan-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76910514
N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76994058
2-[cyclopentylmethyl(cyclopropylmethyl)amino]ethanol
CID 115593687
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol
CID 102676607

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol (CID 62021134) is 2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol is OCCN(CCO)CC1CCOC1.
What is the InChIKey of 2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol?
The InChIKey is LOUPCVJVEPZEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c11-4-2-10(3-5-12)7-9-1-6-13-8-9/h9,11-12H,1-8H2.
What are the key properties of 2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol?
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol has a molecular weight of 189.25 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 62021134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).