1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol

C6H14BrNO2 — CID 88510484

IUPAC1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(C(C)O)C(C)Br
InChIInChI=1S/C6H14BrNO2/c1-4(7)8(5(2)9)6(3)10/h4-6,9-10H,1-3H3
InChIKeyFTPWCVXJUMNVAO-UHFFFAOYSA-N
MW212.09 g/mol
LogP0.71
Rot. Bonds3

About 1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol

1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol (PubChem CID 88510484) has the molecular formula C6H14BrNO2 and a molecular weight of 212.09 g/mol. Its IUPAC name is 1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol
PubChem CID88510484
Molecular FormulaC6H14BrNO2
Molecular Weight212.09 g/mol
Exact Mass211.02
IUPAC Name1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(C(C)O)C(C)Br
InChIInChI=1S/C6H14BrNO2/c1-4(7)8(5(2)9)6(3)10/h4-6,9-10H,1-3H3
InChIKeyFTPWCVXJUMNVAO-UHFFFAOYSA-N
XLogP0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(1-hydroxyethyl)amino]ethanol;iron
CID 87467389
1-[1-hydroxyethyl(propan-2-yl)amino]ethanol
CID 57090083
(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762
(1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol
CID 124562463
1-[bis(1-hydroxyethyl)amino]-2-sulfanylethanol
CID 57313457
2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol
CID 173459729
N-(1-bromoethyl)-N-propan-2-ylbutan-2-amine
CID 138551328
1-(1-bromoethylamino)ethanol
CID 174881893
CID 58943019
CID 58943019
beryllium;hydride;propan-2-ol
CID 175546998
2,5-dibromohexane-3,4-diol
CID 102249432

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol (CID 88510484) is 1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol is CC(O)N(C(C)O)C(C)Br.
What is the InChIKey of 1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol?
The InChIKey is FTPWCVXJUMNVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO2/c1-4(7)8(5(2)9)6(3)10/h4-6,9-10H,1-3H3.
What are the key properties of 1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol?
1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol has a molecular weight of 212.09 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromoethyl(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 88510484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).