2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine

C14H12BrClFN — CID 113471264

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1ccccc1F
InChIInChI=1S/C14H12BrClFN/c15-10-6-5-9(12(16)8-10)7-14(18)11-3-1-2-4-13(11)17/h1-6,8,14H,7,18H2
InChIKeyUIGPFFORUYBYSP-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.48
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine (PubChem CID 113471264) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
PubChem CID113471264
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1ccccc1F
InChIInChI=1S/C14H12BrClFN/c15-10-6-5-9(12(16)8-10)7-14(18)11-3-1-2-4-13(11)17/h1-6,8,14H,7,18H2
InChIKeyUIGPFFORUYBYSP-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 62502807
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanamine
CID 115839801
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106693067
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine (CID 113471264) is 2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine is NC(Cc1ccc(Br)cc1Cl)c1ccccc1F.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine?
The InChIKey is UIGPFFORUYBYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c15-10-6-5-9(12(16)8-10)7-14(18)11-3-1-2-4-13(11)17/h1-6,8,14H,7,18H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine has a molecular weight of 328.61 g/mol, XLogP of 4.48, 3 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)-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 113471264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).