1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol

C9H21NO4 — CID 63932330

IUPAC1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN(CCO)CCO
InChIInChI=1S/C9H21NO4/c1-2-14-8-9(13)7-10(3-5-11)4-6-12/h9,11-13H,2-8H2,1H3
InChIKeyDZFLSWBZHLUFQQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP-1.33
Rot. Bonds9

About 1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol

1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol (PubChem CID 63932330) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
PubChem CID63932330
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN(CCO)CCO
InChIInChI=1S/C9H21NO4/c1-2-14-8-9(13)7-10(3-5-11)4-6-12/h9,11-13H,2-8H2,1H3
InChIKeyDZFLSWBZHLUFQQ-UHFFFAOYSA-N
XLogP-1.33
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 103864968
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 63934385
1-[bis(2-hydroxyethyl)amino]-3-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2-[[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]propan-2-ol
CID 129270703
1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 88894374
1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol
CID 156568864
1-ethoxy-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106617981
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
2-[bis(2-hydroxyethyl)amino]ethanol;ethoxyethane
CID 22156510
1-[bis(2-hydroxyethyl)amino]-3-[2-[[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[3-[bis(2-hydroxyethyl)amino]propoxymethyl]-3-propoxypropoxy]propan-2-ol
CID 129270890
ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate
CID 63932802
1-[2-(dimethylamino)ethyl-methylamino]-3-ethoxypropan-2-ol
CID 63932351

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol (CID 63932330) is 1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol is CCOCC(O)CN(CCO)CCO.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol?
The InChIKey is DZFLSWBZHLUFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4/c1-2-14-8-9(13)7-10(3-5-11)4-6-12/h9,11-13H,2-8H2,1H3.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol?
1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol has a molecular weight of 207.27 g/mol, XLogP of -1.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 63932330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).