1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine

C14H11Br2ClFN — CID 115843665

IUPAC1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11Br2ClFN/c15-9-1-3-11(13(17)7-9)14(19)6-8-5-10(18)2-4-12(8)16/h1-5,7,14H,6,19H2
InChIKeyVLZXIYJFEFPECX-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.25
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine

1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine (PubChem CID 115843665) has the molecular formula C14H11Br2ClFN and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
PubChem CID115843665
Molecular FormulaC14H11Br2ClFN
Molecular Weight407.51 g/mol
Exact Mass404.89
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
SMILESNC(Cc1cc(F)ccc1Br)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H11Br2ClFN/c15-9-1-3-11(13(17)7-9)14(19)6-8-5-10(18)2-4-12(8)16/h1-5,7,14H,6,19H2
InChIKeyVLZXIYJFEFPECX-UHFFFAOYSA-N
XLogP5.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.25
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
2-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843513
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999
2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 115843687
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 82774821
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-(4-bromo-2-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043078

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine (CID 115843665) is 1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine is NC(Cc1cc(F)ccc1Br)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine?
The InChIKey is VLZXIYJFEFPECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClFN/c15-9-1-3-11(13(17)7-9)14(19)6-8-5-10(18)2-4-12(8)16/h1-5,7,14H,6,19H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine has a molecular weight of 407.51 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine is sourced from PubChem (CID 115843665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).