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

C14H11Br2F2N — CID 105020699

IUPAC2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H11Br2F2N/c15-10-5-4-8(6-12(10)18)13(19)7-9-2-1-3-11(17)14(9)16/h1-6,13H,7,19H2
InChIKeyBKDNEFIGZASZHK-UHFFFAOYSA-N
MW391.05 g/mol
LogP4.73
Rot. Bonds3

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

2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine (PubChem CID 105020699) has the molecular formula C14H11Br2F2N and a molecular weight of 391.05 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
PubChem CID105020699
Molecular FormulaC14H11Br2F2N
Molecular Weight391.05 g/mol
Exact Mass388.92
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H11Br2F2N/c15-10-5-4-8(6-12(10)18)13(19)7-9-2-1-3-11(17)14(9)16/h1-6,13H,7,19H2
InChIKeyBKDNEFIGZASZHK-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.05
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethyl]hydrazine
CID 105327124
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105020643
2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105020500
2-(2-bromo-3-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107946486
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643
2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 55095679
1-(4-bromo-3-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841293
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947
(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171201771
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethanamine
CID 105020396
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methylphenyl)ethanamine
CID 105020445

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine (CID 105020699) is 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine is NC(Cc1cccc(F)c1Br)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine?
The InChIKey is BKDNEFIGZASZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2N/c15-10-5-4-8(6-12(10)18)13(19)7-9-2-1-3-11(17)14(9)16/h1-6,13H,7,19H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine?
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine has a molecular weight of 391.05 g/mol, XLogP of 4.73, 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-(4-bromo-3-fluorophenyl)ethanamine is sourced from PubChem (CID 105020699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).