2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine

C8H8BrClFN — CID 118111908

IUPAC2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
SMILESNCC(F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H8BrClFN/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2
InChIKeyQCQANRNKHMGAOC-UHFFFAOYSA-N
MW252.51 g/mol
LogP3.07
Rot. Bonds2

About 2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine

2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine (PubChem CID 118111908) has the molecular formula C8H8BrClFN and a molecular weight of 252.51 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
PubChem CID118111908
Molecular FormulaC8H8BrClFN
Molecular Weight252.51 g/mol
Exact Mass250.95
IUPAC Name2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
SMILESNCC(F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H8BrClFN/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2
InChIKeyQCQANRNKHMGAOC-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine 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

trans-(1S,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168280482
cis-(1R,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168292181
((4-Bromo-2-chlorophenyl)methyl)(methyl)amine
CID 22386925
(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
4-Bromo-beta-fluorobenzeneethanamine
CID 84027565
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroethan-1-amine hydrochloride
CID 134690956
(R)-1-(4-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 155288058
[2-(4-Bromo-2-chlorophenyl)ethyl]dimethylamine
CID 164751067
2-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 66160453
(4-Bromo-2,6-dichlorophenyl)methanamine hydrochloride
CID 132300824
2-(2-Bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 132354128

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine (CID 118111908) is 2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine is NCC(F)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine?
The InChIKey is QCQANRNKHMGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFN/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8H,4,12H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine?
2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine has a molecular weight of 252.51 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 118111908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).