(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride

C8H9Br2ClFN — CID 171235024

IUPAC(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1cc(Br)ccc1Br
InChIInChI=1S/C8H8Br2FN.ClH/c9-5-1-2-7(10)6(3-5)8(12)4-11;/h1-3,8H,4,12H2;1H/t8-;/m0./s1
InChIKeyLZEPZMZGAUXHAA-QRPNPIFTSA-N
MW333.43 g/mol
LogP3.60
Rot. Bonds2

About (1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride

(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride (PubChem CID 171235024) has the molecular formula C8H9Br2ClFN and a molecular weight of 333.43 g/mol. Its IUPAC name is (1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride
PubChem CID171235024
Molecular FormulaC8H9Br2ClFN
Molecular Weight333.43 g/mol
Exact Mass330.88
IUPAC Name(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1cc(Br)ccc1Br
InChIInChI=1S/C8H8Br2FN.ClH/c9-5-1-2-7(10)6(3-5)8(12)4-11;/h1-3,8H,4,12H2;1H/t8-;/m0./s1
InChIKeyLZEPZMZGAUXHAA-QRPNPIFTSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
CID 124707188
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580
(1S)-1-(2,5-dibromophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171235050
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
ethyl (3S)-3-amino-3-(2,5-dibromophenyl)propanoate;hydrochloride
CID 171235056
ethyl (3R)-3-amino-3-(2,5-dibromophenyl)propanoate;hydrochloride
CID 171215423
1-(2,5-dibromophenyl)prop-2-yn-1-amine
CID 104995956
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844387
2-(4-tert-butylphenyl)-1-(2,5-dibromophenyl)ethanamine
CID 115842956
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanamine
CID 43109344

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride (CID 171235024) is (1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride is Cl.N[C@@H](CF)c1cc(Br)ccc1Br.
What is the InChIKey of (1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is LZEPZMZGAUXHAA-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H8Br2FN.ClH/c9-5-1-2-7(10)6(3-5)8(12)4-11;/h1-3,8H,4,12H2;1H/t8-;/m0./s1.
What are the key properties of (1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride?
(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 333.43 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171235024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).