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

C14H10Br2F2IN — CID 106273986

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine
SMILESNC(Cc1c(F)ccc(Br)c1F)c1cc(Br)ccc1I
InChIInChI=1S/C14H10Br2F2IN/c15-7-1-4-12(19)9(5-7)13(20)6-8-11(17)3-2-10(16)14(8)18/h1-5,13H,6,20H2
InChIKeyVCZAJXADWIVYRF-UHFFFAOYSA-N
MW516.95 g/mol
LogP5.34
Rot. Bonds3

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

2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine (PubChem CID 106273986) has the molecular formula C14H10Br2F2IN and a molecular weight of 516.95 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine
PubChem CID106273986
Molecular FormulaC14H10Br2F2IN
Molecular Weight516.95 g/mol
Exact Mass514.82
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine
SMILESNC(Cc1c(F)ccc(Br)c1F)c1cc(Br)ccc1I
InChIInChI=1S/C14H10Br2F2IN/c15-7-1-4-12(19)9(5-7)13(20)6-8-11(17)3-2-10(16)14(8)18/h1-5,13H,6,20H2
InChIKeyVCZAJXADWIVYRF-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.95
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
CID 106268783
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 106267811
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-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
2-(3-bromo-2,6-difluorophenyl)-1-(2-methoxyphenyl)ethanamine
CID 106266739
2-(3-bromo-2,6-difluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 106268120
(3R)-3-amino-3-(5-bromo-2-iodophenyl)propanenitrile
CID 131218502
1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine
CID 106268059
1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
CID 107952664
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 106273635

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine (CID 106273986) is 2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine is NC(Cc1c(F)ccc(Br)c1F)c1cc(Br)ccc1I.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine?
The InChIKey is VCZAJXADWIVYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F2IN/c15-7-1-4-12(19)9(5-7)13(20)6-8-11(17)3-2-10(16)14(8)18/h1-5,13H,6,20H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-iodophenyl)ethanamine has a molecular weight of 516.95 g/mol, XLogP of 5.34, 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-(5-bromo-2-iodophenyl)ethanamine is sourced from PubChem (CID 106273986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).