1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine

C14H12BrFIN — CID 114026947

IUPAC1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)c1cc(I)ccc1Br
InChIInChI=1S/C14H12BrFIN/c15-12-6-5-10(17)8-11(12)14(18)7-9-3-1-2-4-13(9)16/h1-6,8,14H,7,18H2
InChIKeyPTBHOIWDRFONBO-UHFFFAOYSA-N
MW420.06 g/mol
LogP4.44
Rot. Bonds3

About 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine

1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine (PubChem CID 114026947) has the molecular formula C14H12BrFIN and a molecular weight of 420.06 g/mol. Its IUPAC name is 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine
PubChem CID114026947
Molecular FormulaC14H12BrFIN
Molecular Weight420.06 g/mol
Exact Mass418.92
IUPAC Name1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccccc1F)c1cc(I)ccc1Br
InChIInChI=1S/C14H12BrFIN/c15-12-6-5-10(17)8-11(12)14(18)7-9-3-1-2-4-13(9)16/h1-6,8,14H,7,18H2
InChIKeyPTBHOIWDRFONBO-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.06
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine
CID 65440683
(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine
CID 130713970
1-bromo-2-[1-bromo-2-(2,6-difluorophenyl)ethyl]-4-iodobenzene
CID 114026478
1-(2-bromo-5-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 81111888
3-amino-3-(2-bromo-5-iodophenyl)propanenitrile
CID 130000376
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanamine
CID 43109344
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158
2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
CID 79449387
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 106687760
1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone
CID 114026768
2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105137155

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine (CID 114026947) is 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine is NC(Cc1ccccc1F)c1cc(I)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is PTBHOIWDRFONBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFIN/c15-12-6-5-10(17)8-11(12)14(18)7-9-3-1-2-4-13(9)16/h1-6,8,14H,7,18H2.
What are the key properties of 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine?
1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 420.06 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 114026947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).