2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine

C14H11BrCl2FN — CID 105015454

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11BrCl2FN/c15-9-4-8(5-10(18)7-9)6-13(19)14-11(16)2-1-3-12(14)17/h1-5,7,13H,6,19H2
InChIKeyPKHARZLYGQUNQL-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.14
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine

2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine (PubChem CID 105015454) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
PubChem CID105015454
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11BrCl2FN/c15-9-4-8(5-10(18)7-9)6-13(19)14-11(16)2-1-3-12(14)17/h1-5,7,13H,6,19H2
InChIKeyPKHARZLYGQUNQL-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
CID 79702482
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 105015396
2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105015570
2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
CID 105169391
2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 79709295
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine (CID 105015454) is 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine is NC(Cc1cc(F)cc(Br)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine?
The InChIKey is PKHARZLYGQUNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c15-9-4-8(5-10(18)7-9)6-13(19)14-11(16)2-1-3-12(14)17/h1-5,7,13H,6,19H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine?
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine has a molecular weight of 363.06 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 105015454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).