2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride

C8H9BrClF2N — CID 170912586

IUPAC2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1cc(F)c(F)cc1Br
InChIInChI=1S/C8H8BrF2N.ClH/c9-6-4-8(11)7(10)3-5(6)1-2-12;/h3-4H,1-2,12H2;1H
InChIKeySOAHPSUVBGZYDB-UHFFFAOYSA-N
MW272.52 g/mol
LogP2.65
Rot. Bonds2

About 2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride

2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride (PubChem CID 170912586) has the molecular formula C8H9BrClF2N and a molecular weight of 272.52 g/mol. Its IUPAC name is 2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride
PubChem CID170912586
Molecular FormulaC8H9BrClF2N
Molecular Weight272.52 g/mol
Exact Mass270.96
IUPAC Name2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride
SMILESCl.NCCc1cc(F)c(F)cc1Br
InChIInChI=1S/C8H8BrF2N.ClH/c9-6-4-8(11)7(10)3-5(6)1-2-12;/h3-4H,1-2,12H2;1H
InChIKeySOAHPSUVBGZYDB-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(2-bromo-4,5-difluorophenyl)ethanamine;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

2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride
CID 86091425
3-(4-bromo-2,5-difluorophenyl)propan-1-amine
CID 84803842
1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride
CID 170912588
6-(2-aminoethyl)-4-bromo-2,3-difluorophenol
CID 83900500
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82050877
2-(2,4-dibromophenyl)ethanamine
CID 73012416
(2-bromo-4-fluoro-5-iodophenyl)methanamine
CID 171018227
5-(aminomethyl)-4-bromo-2-fluorophenol
CID 118991902
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 171906157
2-(6-bromo-1H-indol-5-yl)ethanamine
CID 82388495
2-(2-aminoethyl)-4-bromo-3,6-difluorophenol
CID 117383018

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride (CID 170912586) is 2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride is Cl.NCCc1cc(F)c(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride?
The InChIKey is SOAHPSUVBGZYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N.ClH/c9-6-4-8(11)7(10)3-5(6)1-2-12;/h3-4H,1-2,12H2;1H.
What are the key properties of 2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride?
2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride has a molecular weight of 272.52 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 170912586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).