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

C10H23NO4 — CID 139812156

IUPAC1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
SMILESCCOCC(O)CNCC(O)COCC
InChIInChI=1S/C10H23NO4/c1-3-14-7-9(12)5-11-6-10(13)8-15-4-2/h9-13H,3-8H2,1-2H3
InChIKeyALUSPARCQYGLEY-UHFFFAOYSA-N
MW221.30 g/mol
LogP-0.63
Rot. Bonds10

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

1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol (PubChem CID 139812156) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
PubChem CID139812156
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Name1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
SMILESCCOCC(O)CNCC(O)COCC
InChIInChI=1S/C10H23NO4/c1-3-14-7-9(12)5-11-6-10(13)8-15-4-2/h9-13H,3-8H2,1-2H3
InChIKeyALUSPARCQYGLEY-UHFFFAOYSA-N
XLogP-0.63
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal
CID 126611622
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-hydroxypropanamide
CID 106174560
1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966276
1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616793
2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106256034
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol
CID 63931930
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111279
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
1-ethoxy-3-(2-phenylpropylamino)propan-2-ol
CID 113430199

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol (CID 139812156) is 1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol is CCOCC(O)CNCC(O)COCC.
What is the InChIKey of 1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is ALUSPARCQYGLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4/c1-3-14-7-9(12)5-11-6-10(13)8-15-4-2/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol?
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 221.30 g/mol, XLogP of -0.63, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 139812156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).