1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol

C8H19NO3 — CID 63934385

IUPAC1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
SMILESCCOCC(O)CN(C)CCO
InChIInChI=1S/C8H19NO3/c1-3-12-7-8(11)6-9(2)4-5-10/h8,10-11H,3-7H2,1-2H3
InChIKeyCLZUDWALXATYKX-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.69
Rot. Bonds7

About 1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol

1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol (PubChem CID 63934385) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
PubChem CID63934385
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
SMILESCCOCC(O)CN(C)CCO
InChIInChI=1S/C8H19NO3/c1-3-12-7-8(11)6-9(2)4-5-10/h8,10-11H,3-7H2,1-2H3
InChIKeyCLZUDWALXATYKX-UHFFFAOYSA-N
XLogP-0.69
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl-methylamino]-3-ethoxypropan-2-ol
CID 63932351
1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol
CID 19694651
1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
CID 63932330
1-ethoxy-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 80710339
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate
CID 82778622
1-[2-ethoxyethyl(methyl)amino]pentan-2-ol
CID 81061715
3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid
CID 63933197
1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 103864968
1-ethoxy-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
CID 63964444
(2S)-1-ethoxy-3-[methyl-[(2R)-2-phenylpropyl]amino]propan-2-ol
CID 98764184

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol (CID 63934385) is 1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol is CCOCC(O)CN(C)CCO.
What is the InChIKey of 1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol?
The InChIKey is CLZUDWALXATYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-3-12-7-8(11)6-9(2)4-5-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol?
1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol has a molecular weight of 177.24 g/mol, XLogP of -0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 63934385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).