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

C14H11Br2ClFN — CID 115566630

IUPAC1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)c(Br)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H11Br2ClFN/c15-10-7-9(2-3-12(10)17)14(19)6-8-1-4-13(18)11(16)5-8/h1-5,7,14H,6,19H2
InChIKeyCQEPUBBPNKAPPN-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.25
Rot. Bonds3

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

1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine (PubChem CID 115566630) has the molecular formula C14H11Br2ClFN and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
PubChem CID115566630
Molecular FormulaC14H11Br2ClFN
Molecular Weight407.51 g/mol
Exact Mass404.89
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)c(Br)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H11Br2ClFN/c15-10-7-9(2-3-12(10)17)14(19)6-8-1-4-13(18)11(16)5-8/h1-5,7,14H,6,19H2
InChIKeyCQEPUBBPNKAPPN-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

1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885076
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982
2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 63416624
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
2-(3-bromo-4-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923307
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947
1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81296108

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine (CID 115566630) is 1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine is NC(Cc1ccc(F)c(Br)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine?
The InChIKey is CQEPUBBPNKAPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClFN/c15-10-7-9(2-3-12(10)17)14(19)6-8-1-4-13(18)11(16)5-8/h1-5,7,14H,6,19H2.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine?
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-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-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine is sourced from PubChem (CID 115566630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).