1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine

C15H15BrINO — CID 115864418

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ccc(I)cc1
InChIInChI=1S/C15H15BrINO/c1-19-15-9-11(16)4-7-13(15)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14H,8,18H2,1H3
InChIKeyLLCGIRYNCHVIPZ-UHFFFAOYSA-N
MW432.10 g/mol
LogP4.30
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine

1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine (PubChem CID 115864418) has the molecular formula C15H15BrINO and a molecular weight of 432.10 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine
PubChem CID115864418
Molecular FormulaC15H15BrINO
Molecular Weight432.10 g/mol
Exact Mass430.94
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine
SMILESCOc1cc(Br)ccc1C(N)Cc1ccc(I)cc1
InChIInChI=1S/C15H15BrINO/c1-19-15-9-11(16)4-7-13(15)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14H,8,18H2,1H3
InChIKeyLLCGIRYNCHVIPZ-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800843
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 115369457
2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine
CID 65477894
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 115816754
(1R)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171204798
(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 171204790

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine (CID 115864418) is 1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine is COc1cc(Br)ccc1C(N)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine?
The InChIKey is LLCGIRYNCHVIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrINO/c1-19-15-9-11(16)4-7-13(15)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14H,8,18H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine?
1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine has a molecular weight of 432.10 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine is sourced from PubChem (CID 115864418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).