1,2-bis(2-bromo-4-fluorophenyl)ethanamine

C14H11Br2F2N — CID 115843294

IUPAC1,2-bis(2-bromo-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1Br)c1ccc(F)cc1Br
InChIInChI=1S/C14H11Br2F2N/c15-12-6-9(17)2-1-8(12)5-14(19)11-4-3-10(18)7-13(11)16/h1-4,6-7,14H,5,19H2
InChIKeyGHNUVSZBOSDDRK-UHFFFAOYSA-N
MW391.05 g/mol
LogP4.73
Rot. Bonds3

About 1,2-bis(2-bromo-4-fluorophenyl)ethanamine

1,2-bis(2-bromo-4-fluorophenyl)ethanamine (PubChem CID 115843294) has the molecular formula C14H11Br2F2N and a molecular weight of 391.05 g/mol. Its IUPAC name is 1,2-bis(2-bromo-4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1,2-bis(2-bromo-4-fluorophenyl)ethanamine
PubChem CID115843294
Molecular FormulaC14H11Br2F2N
Molecular Weight391.05 g/mol
Exact Mass388.92
IUPAC Name1,2-bis(2-bromo-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1Br)c1ccc(F)cc1Br
InChIInChI=1S/C14H11Br2F2N/c15-12-6-9(17)2-1-8(12)5-14(19)11-4-3-10(18)7-13(11)16/h1-4,6-7,14H,5,19H2
InChIKeyGHNUVSZBOSDDRK-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-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841235
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 115843287
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 66425067
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175
(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131494650
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221
2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine
CID 62608112
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
CID 55095103

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-bromo-4-fluorophenyl)ethanamine?
The IUPAC name of 1,2-bis(2-bromo-4-fluorophenyl)ethanamine (CID 115843294) is 1,2-bis(2-bromo-4-fluorophenyl)ethanamine.
What is the SMILES notation for 1,2-bis(2-bromo-4-fluorophenyl)ethanamine?
The canonical SMILES for 1,2-bis(2-bromo-4-fluorophenyl)ethanamine is NC(Cc1ccc(F)cc1Br)c1ccc(F)cc1Br.
What is the InChIKey of 1,2-bis(2-bromo-4-fluorophenyl)ethanamine?
The InChIKey is GHNUVSZBOSDDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2N/c15-12-6-9(17)2-1-8(12)5-14(19)11-4-3-10(18)7-13(11)16/h1-4,6-7,14H,5,19H2.
What are the key properties of 1,2-bis(2-bromo-4-fluorophenyl)ethanamine?
1,2-bis(2-bromo-4-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 1,2-bis(2-bromo-4-fluorophenyl)ethanamine is sourced from PubChem (CID 115843294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).