2-[(2-bromo-4-fluorophenyl)methylamino]ethanol

C9H11BrFNO — CID 43416404

IUPAC2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
SMILESOCCNCc1ccc(F)cc1Br
InChIInChI=1S/C9H11BrFNO/c10-9-5-8(11)2-1-7(9)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2
InChIKeyMDJUNJNZXQXLKG-UHFFFAOYSA-N
MW248.09 g/mol
LogP1.67
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenyl)methylamino]ethanol

2-[(2-bromo-4-fluorophenyl)methylamino]ethanol (PubChem CID 43416404) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
PubChem CID43416404
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
SMILESOCCNCc1ccc(F)cc1Br
InChIInChI=1S/C9H11BrFNO/c10-9-5-8(11)2-1-7(9)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2
InChIKeyMDJUNJNZXQXLKG-UHFFFAOYSA-N
XLogP1.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-bromo-4-fluorophenyl)methylamino]hexan-1-ol
CID 103924150
2-[3-[(2-bromo-4-fluorophenyl)methylamino]propoxy]ethanol
CID 103992524
3-[(2-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43466684
N-[(2-bromo-4-fluorophenyl)methyl]pentan-1-amine
CID 28569077
N-[(2-bromo-4-fluorophenyl)methyl]-5-iodopentan-1-amine
CID 107320035
N-[2-[(2-bromo-4-fluorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 103608711
[3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol
CID 103792992
1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28582593
N-[(2-bromo-4-fluorophenyl)methyl]-2-ethylsulfinylethanamine
CID 115732418
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
N-[(2-bromo-4-fluorophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115732113
3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
CID 81421994

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylamino]ethanol?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylamino]ethanol (CID 43416404) is 2-[(2-bromo-4-fluorophenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methylamino]ethanol?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methylamino]ethanol is OCCNCc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methylamino]ethanol?
The InChIKey is MDJUNJNZXQXLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c10-9-5-8(11)2-1-7(9)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methylamino]ethanol?
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol has a molecular weight of 248.09 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methylamino]ethanol is sourced from PubChem (CID 43416404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).