1-(1-hydroxyethylamino)ethanol;hydrobromide

C4H12BrNO2 — CID 173051488

IUPAC1-(1-hydroxyethylamino)ethanol;hydrobromide
SMILESBr.CC(O)NC(C)O
InChIInChI=1S/C4H11NO2.BrH/c1-3(6)5-4(2)7;/h3-7H,1-2H3;1H
InChIKeyPAFZVTZWMPFATQ-UHFFFAOYSA-N
MW186.05 g/mol
LogP-0.17
Rot. Bonds2

About 1-(1-hydroxyethylamino)ethanol;hydrobromide

1-(1-hydroxyethylamino)ethanol;hydrobromide (PubChem CID 173051488) has the molecular formula C4H12BrNO2 and a molecular weight of 186.05 g/mol. Its IUPAC name is 1-(1-hydroxyethylamino)ethanol;hydrobromide.

Molecular Properties

Compound Name1-(1-hydroxyethylamino)ethanol;hydrobromide
PubChem CID173051488
Molecular FormulaC4H12BrNO2
Molecular Weight186.05 g/mol
Exact Mass185.01
IUPAC Name1-(1-hydroxyethylamino)ethanol;hydrobromide
SMILESBr.CC(O)NC(C)O
InChIInChI=1S/C4H11NO2.BrH/c1-3(6)5-4(2)7;/h3-7H,1-2H3;1H
InChIKeyPAFZVTZWMPFATQ-UHFFFAOYSA-N
XLogP-0.17
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.05
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
CID 93481820
1-(1-hydroxyethylamino)ethanol
CID 18183743
1-(1-hydroxyethylamino)ethanol;hydrochloride
CID 57449436
1-(propan-2-ylamino)ethanol
CID 20976152
formic acid;1-(1-hydroxyethylamino)ethanol
CID 87300011
2,3-dihydroxybutanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 173051476
1-(1-bromoethylamino)ethanol
CID 174881893
1-(dichloromethylamino)ethanol
CID 57255602
2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol
CID 173051150
1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid
CID 173188984
hexanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 87300417
1-(pentan-3-ylamino)ethanol
CID 18004281

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethylamino)ethanol;hydrobromide?
The IUPAC name of 1-(1-hydroxyethylamino)ethanol;hydrobromide (CID 173051488) is 1-(1-hydroxyethylamino)ethanol;hydrobromide.
What is the SMILES notation for 1-(1-hydroxyethylamino)ethanol;hydrobromide?
The canonical SMILES for 1-(1-hydroxyethylamino)ethanol;hydrobromide is Br.CC(O)NC(C)O.
What is the InChIKey of 1-(1-hydroxyethylamino)ethanol;hydrobromide?
The InChIKey is PAFZVTZWMPFATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.BrH/c1-3(6)5-4(2)7;/h3-7H,1-2H3;1H.
What are the key properties of 1-(1-hydroxyethylamino)ethanol;hydrobromide?
1-(1-hydroxyethylamino)ethanol;hydrobromide has a molecular weight of 186.05 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethylamino)ethanol;hydrobromide is sourced from PubChem (CID 173051488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).