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

C14H12BrClFN — CID 113471237

IUPAC2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H12BrClFN/c15-11-4-1-10(13(16)8-11)7-14(18)9-2-5-12(17)6-3-9/h1-6,8,14H,7,18H2
InChIKeyOHEGSXFRCLOOCW-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.48
Rot. Bonds3

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

2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine (PubChem CID 113471237) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
PubChem CID113471237
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H12BrClFN/c15-11-4-1-10(13(16)8-11)7-14(18)9-2-5-12(17)6-3-9/h1-6,8,14H,7,18H2
InChIKeyOHEGSXFRCLOOCW-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-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 66425660
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491392
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine
CID 105037979
2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106693067
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843665
2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105038016

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine (CID 113471237) is 2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine is NC(Cc1ccc(Br)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine?
The InChIKey is OHEGSXFRCLOOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c15-11-4-1-10(13(16)8-11)7-14(18)9-2-5-12(17)6-3-9/h1-6,8,14H,7,18H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(4-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-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 113471237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).