2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine

C14H10Br2F3N — CID 106268783

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)ccc(Br)c1F)c1ccc(Br)cc1F
InChIInChI=1S/C14H10Br2F3N/c15-7-1-2-8(12(18)5-7)13(20)6-9-11(17)4-3-10(16)14(9)19/h1-5,13H,6,20H2
InChIKeyGYXRFJASSVPAEL-UHFFFAOYSA-N
MW409.04 g/mol
LogP4.87
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine (PubChem CID 106268783) has the molecular formula C14H10Br2F3N and a molecular weight of 409.04 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
PubChem CID106268783
Molecular FormulaC14H10Br2F3N
Molecular Weight409.04 g/mol
Exact Mass406.91
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)ccc(Br)c1F)c1ccc(Br)cc1F
InChIInChI=1S/C14H10Br2F3N/c15-7-1-2-8(12(18)5-7)13(20)6-9-11(17)4-3-10(16)14(9)19/h1-5,13H,6,20H2
InChIKeyGYXRFJASSVPAEL-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.04
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine
CID 106273986
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 106267811
1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 114906230
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106274038
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
2-(3-bromo-2,6-difluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 106268120
2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine
CID 106266739
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 106273635
(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine
CID 171218948

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine (CID 106268783) is 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine is NC(Cc1c(F)ccc(Br)c1F)c1ccc(Br)cc1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine?
The InChIKey is GYXRFJASSVPAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F3N/c15-7-1-2-8(12(18)5-7)13(20)6-9-11(17)4-3-10(16)14(9)19/h1-5,13H,6,20H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine has a molecular weight of 409.04 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine is sourced from PubChem (CID 106268783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).