2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine

C14H11BrCl2FN — CID 105020396

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11BrCl2FN/c15-14-8(2-1-3-12(14)18)6-13(19)10-5-4-9(16)7-11(10)17/h1-5,7,13H,6,19H2
InChIKeyKAEXJOCAJWBORH-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.14
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine

2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine (PubChem CID 105020396) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
PubChem CID105020396
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11BrCl2FN/c15-14-8(2-1-3-12(14)18)6-13(19)10-5-4-9(16)7-11(10)17/h1-5,7,13H,6,19H2
InChIKeyKAEXJOCAJWBORH-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-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105172091
2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107946486
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105020553
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methylphenyl)ethanamine
CID 105020445
2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105172090
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105020643
2-(2,4-dichlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 62502807
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
CID 105020699
2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
CID 115840906
1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107985554

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine (CID 105020396) is 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine is NC(Cc1cccc(F)c1Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine?
The InChIKey is KAEXJOCAJWBORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c15-14-8(2-1-3-12(14)18)6-13(19)10-5-4-9(16)7-11(10)17/h1-5,7,13H,6,19H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine?
2-(2-bromo-3-fluorophenyl)-1-(2,4-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-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 105020396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).