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

C12H27NO3 — CID 106256034

IUPAC2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCOCC(O)CNCC(CC)(CC)CO
InChIInChI=1S/C12H27NO3/c1-4-12(5-2,10-14)9-13-7-11(15)8-16-6-3/h11,13-15H,4-10H2,1-3H3
InChIKeyJLDFEATVEALGJL-UHFFFAOYSA-N
MW233.35 g/mol
LogP0.77
Rot. Bonds10

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

2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106256034) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106256034
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCOCC(O)CNCC(CC)(CC)CO
InChIInChI=1S/C12H27NO3/c1-4-12(5-2,10-14)9-13-7-11(15)8-16-6-3/h11,13-15H,4-10H2,1-3H3
InChIKeyJLDFEATVEALGJL-UHFFFAOYSA-N
XLogP0.77
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol
CID 106255999
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111279
2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106255989
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-hydroxypropanamide
CID 106174560
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal
CID 126611622
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966276
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616793

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol (CID 106256034) is 2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol is CCOCC(O)CNCC(CC)(CC)CO.
What is the InChIKey of 2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is JLDFEATVEALGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-4-12(5-2,10-14)9-13-7-11(15)8-16-6-3/h11,13-15H,4-10H2,1-3H3.
What are the key properties of 2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 0.77, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106256034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).