1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol

C10H14BrNO2 — CID 82312916

IUPAC1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol
SMILESOCCNCC(O)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO2/c11-9-3-1-8(2-4-9)10(14)7-12-5-6-13/h1-4,10,12-14H,5-7H2
InChIKeyBYMWMDIOMQFUPJ-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.06
Rot. Bonds5

About 1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol

1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol (PubChem CID 82312916) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol
PubChem CID82312916
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol
SMILESOCCNCC(O)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO2/c11-9-3-1-8(2-4-9)10(14)7-12-5-6-13/h1-4,10,12-14H,5-7H2
InChIKeyBYMWMDIOMQFUPJ-UHFFFAOYSA-N
XLogP1.06
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol (CID 82312916) is 1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol is OCCNCC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol?
The InChIKey is BYMWMDIOMQFUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c11-9-3-1-8(2-4-9)10(14)7-12-5-6-13/h1-4,10,12-14H,5-7H2.
What are the key properties of 1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol?
1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol has a molecular weight of 260.13 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 82312916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).