2-[bis(2-hydroxyethyl)amino]-2-bromoethanol

C6H14BrNO3 — CID 171617183

IUPAC2-[bis(2-hydroxyethyl)amino]-2-bromoethanol
SMILESOCCN(CCO)C(Br)CO
InChIInChI=1S/C6H14BrNO3/c7-6(5-11)8(1-3-9)2-4-10/h6,9-11H,1-5H2
InChIKeyKOJGNTIBZNZNBZ-UHFFFAOYSA-N
MW228.09 g/mol
LogP-1.01
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]-2-bromoethanol

2-[bis(2-hydroxyethyl)amino]-2-bromoethanol (PubChem CID 171617183) has the molecular formula C6H14BrNO3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-2-bromoethanol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-2-bromoethanol
PubChem CID171617183
Molecular FormulaC6H14BrNO3
Molecular Weight228.09 g/mol
Exact Mass227.02
IUPAC Name2-[bis(2-hydroxyethyl)amino]-2-bromoethanol
SMILESOCCN(CCO)C(Br)CO
InChIInChI=1S/C6H14BrNO3/c7-6(5-11)8(1-3-9)2-4-10/h6,9-11H,1-5H2
InChIKeyKOJGNTIBZNZNBZ-UHFFFAOYSA-N
XLogP-1.01
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
CID 107886008
1-[1,2-dihydroxyethyl(2-hydroxyethyl)amino]ethane-1,2-diol
CID 175287587
2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol
CID 141087616
1-[bis(2-hydroxyethyl)amino]pentane-1,3,5-triol
CID 87694532
2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol
CID 64995595
2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide
CID 60686797
2-[bis(2-hydroxyethyl)amino]propan-1-ol;methyl hydrogen sulfate
CID 159321918
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 61242806
2-(dimethylamino)ethanol;propane-1,2,3-triol
CID 87640788
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol
CID 65013614

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-2-bromoethanol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-2-bromoethanol (CID 171617183) is 2-[bis(2-hydroxyethyl)amino]-2-bromoethanol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-2-bromoethanol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-2-bromoethanol is OCCN(CCO)C(Br)CO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-2-bromoethanol?
The InChIKey is KOJGNTIBZNZNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO3/c7-6(5-11)8(1-3-9)2-4-10/h6,9-11H,1-5H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-2-bromoethanol?
2-[bis(2-hydroxyethyl)amino]-2-bromoethanol has a molecular weight of 228.09 g/mol, XLogP of -1.01, 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]-2-bromoethanol is sourced from PubChem (CID 171617183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).