2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride

C8H10BrClFNO — CID 170912674

IUPAC2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride
SMILESCl.NCCOc1cccc(Br)c1F
InChIInChI=1S/C8H9BrFNO.ClH/c9-6-2-1-3-7(8(6)10)12-5-4-11;/h1-3H,4-5,11H2;1H
InChIKeyAAYNCJOCKFQCJN-UHFFFAOYSA-N
MW270.53 g/mol
LogP2.35
Rot. Bonds3

About 2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride

2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride (PubChem CID 170912674) has the molecular formula C8H10BrClFNO and a molecular weight of 270.53 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride
PubChem CID170912674
Molecular FormulaC8H10BrClFNO
Molecular Weight270.53 g/mol
Exact Mass268.96
IUPAC Name2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride
SMILESCl.NCCOc1cccc(Br)c1F
InChIInChI=1S/C8H9BrFNO.ClH/c9-6-2-1-3-7(8(6)10)12-5-4-11;/h1-3H,4-5,11H2;1H
InChIKeyAAYNCJOCKFQCJN-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.53
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenoxy)ethanamine
CID 63036211
1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene
CID 167882295
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
2-[2-(2-fluoro-3-methylphenoxy)ethoxy]ethanamine
CID 107658319
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide
CID 176959820
4-(3-bromo-2-fluorophenoxy)-2-fluoro-1-(4-fluorophenyl)butan-1-one;ethane
CID 176959818
N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride
CID 69275255
(4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide
CID 167539497
CID 123325049
CID 123325049
2-bromo-3-[(3-bromo-2,6-difluorophenyl)methoxy]aniline
CID 106262844

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride (CID 170912674) is 2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride is Cl.NCCOc1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride?
The InChIKey is AAYNCJOCKFQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO.ClH/c9-6-2-1-3-7(8(6)10)12-5-4-11;/h1-3H,4-5,11H2;1H.
What are the key properties of 2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride?
2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride has a molecular weight of 270.53 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 170912674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).