2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine

C14H10Br2F3N — CID 106267811

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)ccc(Br)c1F)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H10Br2F3N/c15-8-3-7(4-9(17)5-8)13(20)6-10-12(18)2-1-11(16)14(10)19/h1-5,13H,6,20H2
InChIKeyRRHIHMICCHZMFD-UHFFFAOYSA-N
MW409.04 g/mol
LogP4.87
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine (PubChem CID 106267811) 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-(3-bromo-5-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
PubChem CID106267811
Molecular FormulaC14H10Br2F3N
Molecular Weight409.04 g/mol
Exact Mass406.91
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
SMILESNC(Cc1c(F)ccc(Br)c1F)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H10Br2F3N/c15-8-3-7(4-9(17)5-8)13(20)6-10-12(18)2-1-11(16)14(10)19/h1-5,13H,6,20H2
InChIKeyRRHIHMICCHZMFD-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-(3,5-dimethylphenyl)ethanamine
CID 106274038
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 106273635
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
CID 106268783
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 66425067
4-[1-amino-2-(3-bromo-2,6-difluorophenyl)ethyl]-N,N-dimethylaniline
CID 106274213
2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine
CID 106273986
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine
CID 63528397
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171223503

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine (CID 106267811) is 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine is NC(Cc1c(F)ccc(Br)c1F)c1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine?
The InChIKey is RRHIHMICCHZMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F3N/c15-8-3-7(4-9(17)5-8)13(20)6-10-12(18)2-1-11(16)14(10)19/h1-5,13H,6,20H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-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-(3-bromo-5-fluorophenyl)ethanamine is sourced from PubChem (CID 106267811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).