2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol

C9H11BrFNO2 — CID 107532624

IUPAC2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol
SMILESNCc1ccc(OCCO)c(F)c1Br
InChIInChI=1S/C9H11BrFNO2/c10-8-6(5-12)1-2-7(9(8)11)14-4-3-13/h1-2,13H,3-5,12H2
InChIKeyDYYSYANWRAQKHT-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.42
Rot. Bonds4

About 2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol

2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol (PubChem CID 107532624) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol
PubChem CID107532624
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol
SMILESNCc1ccc(OCCO)c(F)c1Br
InChIInChI=1S/C9H11BrFNO2/c10-8-6(5-12)1-2-7(9(8)11)14-4-3-13/h1-2,13H,3-5,12H2
InChIKeyDYYSYANWRAQKHT-UHFFFAOYSA-N
XLogP1.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine
CID 107532733
2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107536715
[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
CID 107532694
2-(2,3,4-trifluorophenoxy)ethanol
CID 117051245
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
CID 43153652
[2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 107532608
2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide
CID 107536735
[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532667
[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 107532595
2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride
CID 68743349
[2-bromo-4-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532712

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol (CID 107532624) is 2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol is NCc1ccc(OCCO)c(F)c1Br.
What is the InChIKey of 2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol?
The InChIKey is DYYSYANWRAQKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c10-8-6(5-12)1-2-7(9(8)11)14-4-3-13/h1-2,13H,3-5,12H2.
What are the key properties of 2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol?
2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol has a molecular weight of 264.09 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol is sourced from PubChem (CID 107532624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).