1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine

C14H11BrCl2FN — CID 112653947

IUPAC1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H11BrCl2FN/c15-10-6-8(4-5-11(10)16)13(19)7-9-2-1-3-12(18)14(9)17/h1-6,13H,7,19H2
InChIKeyOUABCNCQBYITSK-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.14
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine

1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine (PubChem CID 112653947) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
PubChem CID112653947
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H11BrCl2FN/c15-10-6-8(4-5-11(10)16)13(19)7-9-2-1-3-12(18)14(9)17/h1-6,13H,7,19H2
InChIKeyOUABCNCQBYITSK-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

1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643
2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 112653545
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374267
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885076
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
CID 105020699
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
CID 113336988
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine (CID 112653947) is 1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine is NC(Cc1cccc(F)c1Cl)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine?
The InChIKey is OUABCNCQBYITSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c15-10-6-8(4-5-11(10)16)13(19)7-9-2-1-3-12(18)14(9)17/h1-6,13H,7,19H2.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine?
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)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 1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine is sourced from PubChem (CID 112653947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).