2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide

C10H16BrNO2 — CID 21388011

IUPAC2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
SMILESBr.OCCN(CCO)c1ccccc1
InChIInChI=1S/C10H15NO2.BrH/c12-8-6-11(7-9-13)10-4-2-1-3-5-10;/h1-5,12-13H,6-9H2;1H
InChIKeyLFSNPOURONAZOP-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.06
Rot. Bonds5

About 2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide

2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide (PubChem CID 21388011) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
PubChem CID21388011
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
SMILESBr.OCCN(CCO)c1ccccc1
InChIInChI=1S/C10H15NO2.BrH/c12-8-6-11(7-9-13)10-4-2-1-3-5-10;/h1-5,12-13H,6-9H2;1H
InChIKeyLFSNPOURONAZOP-UHFFFAOYSA-N
XLogP1.06
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide?
The IUPAC name of 2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide (CID 21388011) is 2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide?
The canonical SMILES for 2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide is Br.OCCN(CCO)c1ccccc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide?
The InChIKey is LFSNPOURONAZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.BrH/c12-8-6-11(7-9-13)10-4-2-1-3-5-10;/h1-5,12-13H,6-9H2;1H.
What are the key properties of 2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide?
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide has a molecular weight of 262.15 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide is sourced from PubChem (CID 21388011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).