2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane

C7H17Cl2NO3 — CID 158265405

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
SMILESClCCl.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.CH2Cl2/c8-4-1-7(2-5-9)3-6-10;2-1-3/h8-10H,1-6H2;1H2
InChIKeyGIJKBMOPKGGCLD-UHFFFAOYSA-N
MW234.12 g/mol
LogP-0.31
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane

2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane (PubChem CID 158265405) has the molecular formula C7H17Cl2NO3 and a molecular weight of 234.12 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
PubChem CID158265405
Molecular FormulaC7H17Cl2NO3
Molecular Weight234.12 g/mol
Exact Mass233.06
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
SMILESClCCl.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.CH2Cl2/c8-4-1-7(2-5-9)3-6-10;2-1-3/h8-10H,1-6H2;1H2
InChIKeyGIJKBMOPKGGCLD-UHFFFAOYSA-N
XLogP-0.31
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
CID 23700456
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[2-chloroethyl(propyl)amino]ethanol
CID 61425253
sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate
CID 173310471

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane (CID 158265405) is 2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane is ClCCl.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane?
The InChIKey is GIJKBMOPKGGCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.CH2Cl2/c8-4-1-7(2-5-9)3-6-10;2-1-3/h8-10H,1-6H2;1H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane?
2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane has a molecular weight of 234.12 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane is sourced from PubChem (CID 158265405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).