4-bromo-2-[(2-hydroxyethylamino)methyl]phenol

C9H12BrNO2 — CID 39259702

IUPAC4-bromo-2-[(2-hydroxyethylamino)methyl]phenol
SMILESOCCNCc1cc(Br)ccc1O
InChIInChI=1S/C9H12BrNO2/c10-8-1-2-9(13)7(5-8)6-11-3-4-12/h1-2,5,11-13H,3-4,6H2
InChIKeyZSQYILLRWOIHIQ-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.24
Rot. Bonds4

About 4-bromo-2-[(2-hydroxyethylamino)methyl]phenol

4-bromo-2-[(2-hydroxyethylamino)methyl]phenol (PubChem CID 39259702) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 4-bromo-2-[(2-hydroxyethylamino)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-hydroxyethylamino)methyl]phenol
PubChem CID39259702
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name4-bromo-2-[(2-hydroxyethylamino)methyl]phenol
SMILESOCCNCc1cc(Br)ccc1O
InChIInChI=1S/C9H12BrNO2/c10-8-1-2-9(13)7(5-8)6-11-3-4-12/h1-2,5,11-13H,3-4,6H2
InChIKeyZSQYILLRWOIHIQ-UHFFFAOYSA-N
XLogP1.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-hydroxyethylamino)methyl]phenol?
The IUPAC name of 4-bromo-2-[(2-hydroxyethylamino)methyl]phenol (CID 39259702) is 4-bromo-2-[(2-hydroxyethylamino)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-hydroxyethylamino)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-hydroxyethylamino)methyl]phenol is OCCNCc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(2-hydroxyethylamino)methyl]phenol?
The InChIKey is ZSQYILLRWOIHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c10-8-1-2-9(13)7(5-8)6-11-3-4-12/h1-2,5,11-13H,3-4,6H2.
What are the key properties of 4-bromo-2-[(2-hydroxyethylamino)methyl]phenol?
4-bromo-2-[(2-hydroxyethylamino)methyl]phenol has a molecular weight of 246.10 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-hydroxyethylamino)methyl]phenol is sourced from PubChem (CID 39259702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).