2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol

C10H14BrNO2 — CID 6454352

IUPAC2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol
SMILESOCCN(CCO)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2
InChIKeyXINJBHMYJJBTBJ-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.24
Rot. Bonds5

About 2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol

2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 6454352) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID6454352
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol
SMILESOCCN(CCO)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2
InChIKeyXINJBHMYJJBTBJ-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol (CID 6454352) is 2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol is OCCN(CCO)c1cccc(Br)c1.
What is the InChIKey of 2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is XINJBHMYJJBTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2.
What are the key properties of 2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol?
2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 260.13 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 6454352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).