1-(2-bromo-5-fluorophenyl)ethanamine

C8H9BrFN — CID 83350018

IUPAC1-(2-bromo-5-fluorophenyl)ethanamine
SMILESCC(N)c1cc(F)ccc1Br
InChIInChI=1S/C8H9BrFN/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5H,11H2,1H3
InChIKeyCQRICPAZGLNNEM-UHFFFAOYSA-N
MW218.07 g/mol
LogP2.61
Rot. Bonds1

About 1-(2-bromo-5-fluorophenyl)ethanamine

1-(2-bromo-5-fluorophenyl)ethanamine (PubChem CID 83350018) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)ethanamine
PubChem CID83350018
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name1-(2-bromo-5-fluorophenyl)ethanamine
SMILESCC(N)c1cc(F)ccc1Br
InChIInChI=1S/C8H9BrFN/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5H,11H2,1H3
InChIKeyCQRICPAZGLNNEM-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-5-fluorophenyl)ethanamine 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

(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
CID 131093124
(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
CID 124707188
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
[1-(2-bromo-5-fluorophenyl)-2-methylpropyl]hydrazine
CID 105281765
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433
2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline
CID 131118932
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447347
(1R)-1-(2-bromo-5-fluorophenyl)pentan-1-amine;hydrochloride
CID 171202646
(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
CID 71743656

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)ethanamine (CID 83350018) is 1-(2-bromo-5-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)ethanamine is CC(N)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)ethanamine?
The InChIKey is CQRICPAZGLNNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5H,11H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)ethanamine?
1-(2-bromo-5-fluorophenyl)ethanamine has a molecular weight of 218.07 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)ethanamine is sourced from PubChem (CID 83350018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).